Cas no 897-78-9 (2,6-Dibenzylidenecyclohexanone)

2,6-Dibenzylidenecyclohexanone structure

897-78-9 structure

Product Name:2,6-Dibenzylidenecyclohexanone

CAS No:897-78-9

MF:C₂₀H₁₈O

MW:274.356325626373

CID:83184

PubChem ID:87567743

Update Time:2024-10-26

2,6-Dibenzylidenecyclohexanone Chemical and Physical Properties

Names and Identifiers

- 2,6-dibenzylidenecyclohexan-1-one
- 1,3-Dibenzylidene-2-cyclohexanone
- 2,6-Dibenzylidenecyclohexanone
- 1,3-DIBENZAL-2-CYCLOHEXANONE
- 1,3-Dibenzylidenecyclohexane-2-one
- 2,6-bisphenylallylidenecyclohexanone
- 2,6-Dibenzylidenecyclohjexanone
- 2,6-diphenylmethylidene cyclohexanone
- Cyclohexanone,2,6-dibenzylidene
- RARECHEM AQ C6 0005
- Cyclohexanone, 2,6-dibenzylidene-
- 2,6-Bis(benzylidene)cyclohexanone
- (2E,6E)-2,6-Dibenzylidenecyclohexanone
- Cyclohexanone, 2,6-bis(phenylmethylene)-
- Cyclohexanone,6-dibenzylidene-
- 2,6-Bisbenzylidenecyclohexanone
- Cyclohexanone,6-bis(phenylmethylene)-
- MLS002701880
- NSC2384
- 2,6-dibenzylidene-cyclohexanone
- HMS559I22
- 2,6-Bis(phenylmethylene)cyclohexanone (ACI)
- Cyclohexanone, 2,6-dibenzylidene- (6CI, 7CI, 8CI)
- 2,6-Bis(dibenzylidene)cyclohexanone
- 2,6-Dibenzalcyclohexanone
- NSC 2384
- NSC 40618
- CCG-52176
- Cyclohexanone, 2,6-dibenzylidene-(8CI)
- (2E,6E)-2,6-dibenzylidene-cyclohexan-1-one
- Cyclohexanone, 2,6-bis(phenylmethylene)-(9CI)
- CS-0161507
- 42052-61-9
- (2E,6E)-2,6-Dibenzylidenecyclohexanone #
- 2,6-Bis-[1-phenyl-meth-(E)-ylidene]-cyclohexanone
- D1194
- 897-78-9
- SR-01000641425-1
- 2,6-Bis-(benzylidene)-cyclohexanone
- 2,6-di((E)-benzylidene)cyclohexan-1-one
- CHEMBL274993
- NSC-2384
- BDBM50240380
- 1R-0613
- AKOS001018314
- SCHEMBL12948726
- (2E,6E)-2,6-dibenzylidenecyclohexan-1-one
- MFCD00019516
- NSC40618
- 2,6-bis[(E)-phenylmethylidene]cyclohexanone
- (2E,6E)-2,6-bis(phenylmethylidene)cyclohexan-1-one
- NSC-40618
- MDL： MFCD00019516
- Inchi： 1S/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2
- InChI Key： CTKKGXDAWIAYSA-UHFFFAOYSA-N
- SMILES： O=C1C(=CC2C=CC=CC=2)CCCC1=CC1C=CC=CC=1
- BRN： 656613

Computed Properties

Exact Mass: 274.13600
Monoisotopic Mass: 274.136
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 21
Rotatable Bond Count: 2
Complexity: 379
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 2
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 17.1
Surface Charge: 0
XLogP3: 5.1

Experimental Properties

Color/Form: Not determined
Density: 1.0338 (rough estimate)
Melting Point: 116.0 to 119.0 deg-C
Boiling Point: 377.34°C (rough estimate)
Flash Point: 207.5±23.7 °C
Refractive Index: 1.6700 (estimate)
PSA: 17.07000
LogP: 4.90660
Solubility: Not determined
Vapor Pressure: 0.0±1.2 mmHg at 25°C

2,6-Dibenzylidenecyclohexanone Security Information

Symbol:
Signal Word：warning
Hazard Statement： H411
Warning Statement： P273-P391-P501
Hazardous Material transportation number：3077
Safety Instruction： S24/25
HazardClass：9
PackingGroup：III
Storage Condition：4° CStore…,-4℃Store…Better

2,6-Dibenzylidenecyclohexanone Customs Data

HS CODE：2914399090
Customs Data：

China Customs Code:
2914399090

Overview:

2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

Declaration elements:

Product Name, component content, use to, Acetone declared packaging

Summary:

2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

2,6-Dibenzylidenecyclohexanone Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI XIAN DING Biotechnology Co., Ltd.	L-EM407-5g	2,6-Dibenzylidenecyclohexanone	897-78-9	>98.0%	5g	400.0CNY	2021-08-06
SHANG HAI XIAN DING Biotechnology Co., Ltd.	L-EM407-1g	2,6-Dibenzylidenecyclohexanone	897-78-9	>98.0%	1g	117.0CNY	2021-08-06
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	D869969-200mg	1,3-Dibenzylidene-2-cyclohexanone	897-78-9	98%	200mg	59.40	2021-05-17
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	X31295-5g	2,6-DIBENZYLIDENECYCLOHEXANONE	897-78-9	98%	5g	￥381.0	2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	X31295-25g	2,6-DIBENZYLIDENECYCLOHEXANONE	897-78-9	98%	25g	￥1334.0	2024-07-18
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	X31295-1g	2,6-DIBENZYLIDENECYCLOHEXANONE	897-78-9	98%	1g	￥110.0	2024-07-18
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	D154417-10g	2,6-Dibenzylidenecyclohexanone	897-78-9	>98.0%	10g	￥514.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	D154417-1G	2,6-Dibenzylidenecyclohexanone	897-78-9	>98.0%	1g	￥111.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	D154417-200mg	2,6-Dibenzylidenecyclohexanone	897-78-9	>98.0%	200mg	￥38.90	2023-09-03
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	D154417-50g	2,6-Dibenzylidenecyclohexanone	897-78-9	>98.0%	50g	￥2059.90	2023-09-03

2,6-Dibenzylidenecyclohexanone Production Method

Production Method 1

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: 2,6,7-Trioxa-1-silabicyclo[2.2.1]heptane-1-propanesulfonic acid ; 180 min, 80 °C

Reference

: Cross-aldol condensation of cycloalkanones and aromatic aldehydes in the presence of nanoporous silica-based sulfonic acid (SiO2-Pr-SO3H) under solvent free conditions

Ziarani, Ghodsi Mohammadi; Badiei, Alireza; Abbasi, Alireza; Farahani, Zahra, Chinese Journal of Chemistry, 2009, 27(8), 1537-1542

Production Method 2

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: 1-Butyl-3-methylimidazolium hydrogen sulfate Solvents: 1-Butyl-3-methylimidazolium hydrogen sulfate ; 1 h, rt

Reference

: Facile aldol reaction between unmodified aldehydes and ketones in bronsted acid ionic liquids

Liu, Bao-you; Zhao, Di-shun; Xu, Dan-qian; Xu, Zhen-yuan, Chemical Research in Chinese Universities, 2007, 23(5), 549-553

Production Method 3

100-52-7

897-78-9

Reaction Conditions

1.1 Reagents: Titanium tetrachloride Solvents: Dichloromethane , Perfluorohexane ; 5 h, 23 °C

Reference

: Phase-vanishing method applied to condensation reactions using TiCl4

Adachi, Yusuke; Kuniyoshi, Kenji; Matsubara, Hiroshi, Journal of Fluorine Chemistry, 2017, 197, 100-105

Production Method 4

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Molybdenum pentachloride ; 3 min, heated

Reference

: Green, rapid, and highly efficient syntheses of α,α-bis[(aryl or allyl)idene]cycloalkanones and 2-[(aryl or allyl)idene]-1-indanones as potentially biologic compounds via solvent-free microwave-assisted Claisen-Schmidt condensation catalyzed by MoCl5

Bakhshi, Reza; Zeynizadeh, Behzad ; Mousavi, Hossein, Journal of the Chinese Chemical Society (Weinheim, 2020, 67(4), 623-637

Production Method 5

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Zirconium dioxide (sulfated zirconia) , Sulfuric acid ; 18 min, 90 - 120 °C

Reference

: Microwave-assisted solvent-free synthesis of α,α'-bis(substituted benzylidene)cycloalkanones catalyzed by SO2-4/ZrO2 and B2O3/ZrO2

Jadhav, Sumit V.; Suresh, Eringathodi; Bajaj, Hari C., Green Chemistry Letters and Reviews, 2011, 4(3), 249-256

Production Method 6

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Ruthenium trichloride ; 6 h, 120 °C

Reference

: Ruthenium(III) chloride

McKinney, Jeffrey A.; Che, Chi-Ming; Wong, Man-Kin; Gore, Ernest S.; Campbell, Alison N., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2013, 1, 1-11

Production Method 7

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: 12-Tungstophosphoric acid , Silica ; 70 min, rt

Reference

: Nano silica with high surface area from rice husk as a support for 12-tungstophosphoric acid: an efficient nano catalyst in some organic reactions

Rafiee, Ezzat; Shahebrahimi, Shabnam, Cuihua Xuebao, 2012, 33(8), 1326-1333

Production Method 8

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Zirconium chloride (ZrCl4) Solvents: Ethanol ; 5 h, reflux; reflux → rt

Reference

: ZrCl4 as an efficient catalyst for crossed-aldol condensation of cyclic ketones with aromatic aldehydes in refluxing ethanol

Khodaei, Mohammad Mehdi; Bahrami, Kiumars; Khedri, Mohammad, Journal of the Chinese Chemical Society (Taipei, 2007, 54(3), 807-810

Production Method 9

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: 2922511-39-3 (bonded on HY zeolite) ; 120 min, rt

Reference

: Functionalize of Zn (II) complexes of thiosemicarbazones Schiff bases and tryptophan as an auxiliary ligand on HY zeolite, synthesis, characterization and catalytic activity for organic transition

Tavakoli, Fatemeh; Zendehdel, Mojgan, Materials Chemistry and Physics, 2023, 301,

Production Method 10

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: (T-4)-Trichloro(1,1,1-trifluoromethanesulfonato-κO)titanium

Reference

: Aldol Condensation of Cycloalkanones with Aromatic Aldehydes Catalyzed with TiCl3(SO3CF3)

Iranpoor, N.; Zeynizadeh, B.; Aghapour, A., Journal of Chemical Research, 1999, (9), 554-555

Production Method 11

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Sodium hydroxide ; 5 min, rt

Reference

: A facile solvent free Claisen-Schmidt reaction: synthesis of α,α'-bis-(substituted-benzylidene)cycloalkanones and α,α'-bis-(substituted-alkylidene)cycloalkanones

Rahman, A. F. M. Motiur; Ali, Roushown; Jahng, Yurngdong; Kadi, Adnan A., Molecules, 2012, 17, 571-583

Production Method 12

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Titania ; 2 min, heated

Reference

: Solvent free synthesis of quinoxalines, dipyridophenazines and chalcones under microwave irradiation with sulfated Degussa titania as a novel solid acid catalyst

Krishnakumar, B.; Swaminathan, M., Journal of Molecular Catalysis A: Chemical, 2011, 350(1-2), 16-25

Production Method 13

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Potassium hydroxide Solvents: Ethanol ; 20 s, 40 °C

Reference

: Fast, facile and convenient synthesis of α,α-bis(substituted-arylidene) cycloalkanones, an improved protocol

Mahdavinia, Gholam Hossein; Mirzazadeh, Maryam, Journal of Chemistry, 2012, 9(1), 49-54

Production Method 14

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Alumina ; 30 s, rt; 180 s; 30 s; 30 s

Reference

: Solvent-Free Crossed Aldol Condensation of Cyclic Ketones with Aromatic Aldehydes Assisted by Microwave Irradiation

Esmaeili, Abbas A.; Tabas, Mehri Salimi; Nasseri, Mohammad A.; Kazemi, Foad, Monatshefte fuer Chemie, 2005, 136(4), 571-576

Production Method 15

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Thionyl chloride Solvents: Ethanol ; 2 h, < 0 °C

Reference

: Synthesis of α,α'-bis(substituted benzylidene)ketones catalyzed by a SOCl2/EtOH reagent

Hu, Zhi Guo; Liu, Jun; Zeng, Ping Li; Dong, Zhi Bing, Journal of Chemical Research, 2004, (1), 55-56

Production Method 16

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Hexadecyltrimethylammonium bromide , Sodium hydroxide Solvents: Water ; 7 h, 60 °C

Reference

: Cross-aldol and Knoevenagel condensation reactions in aqueous micellar media

Shrikhande, Janhavi J.; Gawande, Manoj B.; Jayaram, Radha V., Catalysis Communications, 2008, 9(6), 1010-1016

Production Method 17

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Hydrotalcite (Mg6(CO3)[Al(OH)6]2(OH)4.4H2O) ; rt → 120 °C; 8 h, 120 °C; 120 °C → rt

Reference

: Catalytic condensation of aromatic aldehydes with ketones on Mg/Al hydrotalcite

Al-Esaimi, Matar M., Journal of Ultra Chemistry, 2006, 2(2), 133-140

Production Method 18

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Ammonium chloride ; 3 min

Reference

: Ammonium chloride catalyzed microwave-assisted Claisen-Schmidt reaction between ketones and aldehydes under solvent-free conditions

Pal, Rammohan, IOSR Journal of Applied Chemistry, 2013, 3(4), 74-80

Production Method 19

100-52-7

897-78-9

Reaction Conditions

1.1 Catalysts: Lithium hydroxide, monohydrate Solvents: Ethanol ; 10 min, 25 - 30 °C
1.2 35 min, 25 - 30 °C

Reference

: Dual-activation protocol for tandem cross-aldol condensation: An easy and highly efficient synthesis of α,α'-bis(aryl/alkylmethylidene)ketones

Bhagat, Srikant; Sharma, Ratnesh; Chakraborti, Asit K., Journal of Molecular Catalysis A: Chemical, 2006, 260(1-2), 235-240

2,6-Dibenzylidenecyclohexanone Raw materials

Benzaldehyde

2,6-Dibenzylidenecyclohexanone Preparation Products

2,6-Dibenzylidenecyclohexanone (897-78-9)

2,6-Dibenzylidenecyclohexanone Related Literature

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Cas no 897-78-9 (2,6-Dibenzylidenecyclohexanone)

2,6-Dibenzylidenecyclohexanone Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

2,6-Dibenzylidenecyclohexanone Security Information

2,6-Dibenzylidenecyclohexanone Customs Data

China Customs Code:

Overview:

Declaration elements:

Summary:

2,6-Dibenzylidenecyclohexanone Pricemore >>

2,6-Dibenzylidenecyclohexanone Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Production Method 5

Production Method 6

Production Method 7

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Production Method 10

Production Method 11

Production Method 12

Production Method 13

Production Method 14

Production Method 15

Production Method 16

Production Method 17

Production Method 18

Production Method 19

2,6-Dibenzylidenecyclohexanone Raw materials

2,6-Dibenzylidenecyclohexanone Preparation Products

2,6-Dibenzylidenecyclohexanone Related Literature

Related Categories

897-78-9 (2,6-Dibenzylidenecyclohexanone) Related Products