Cas no 870679-59-7 (1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one)

1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one structure
870679-59-7 structure
Product Name:1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one
CAS No:870679-59-7
MF:C11H13NO
MW:175.227022886276
MDL:MFCD09038078
CID:992200
PubChem ID:11579210
Update Time:2024-10-26

1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one Chemical and Physical Properties

Names and Identifiers

    • 1-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
    • 1-amino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
    • 5H-Benzocyclohepten-5-one, 1-amino-6,7,8,9-tetrahydro-
    • 5H-Benzocyclohepten-5-one,1-amino-6,7,8,9-tetrahydro
    • 6-amino-2,3,4,5-tetrahydrobenzocycloheptan-1-one
    • AK116878
    • FCH865199
    • 3729AC
    • AX8056425
    • 1-Amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one
    • 1-Amino-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one (ACI)
    • MFCD09038078
    • AB91398
    • DS-4778
    • CS-0007703
    • DTXSID90468857
    • A862915
    • AKOS006330031
    • I10591
    • 870679-59-7
    • 1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one
    • MDL: MFCD09038078
    • Inchi: 1S/C11H13NO/c12-10-6-3-5-9-8(10)4-1-2-7-11(9)13/h3,5-6H,1-2,4,7,12H2
    • InChI Key: VNZOYEIMPFFVOO-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=C(C=2CCCC1)N

Computed Properties

  • Exact Mass: 175.10000
  • Monoisotopic Mass: 175.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 202
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.1
  • XLogP3: 1.9

Experimental Properties

  • PSA: 43.09000
  • LogP: 2.75910

1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one Security Information

1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one Customs Data

  • HS CODE:2922399090
  • Customs Data:

    China Customs Code:

    2922399090

    Overview:

    2922399090 Other amino aldehydes\Amino ketones and their salts(Including aminoquinone and its salts,Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
A294260-50mg
1-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
870679-59-7
50mg
$ 215.00 2022-06-08
TRC
A294260-100mg
1-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
870679-59-7
100mg
$ 360.00 2022-06-08
TRC
A294260-250mg
1-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
870679-59-7
250mg
$ 710.00 2022-06-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-ML036-1g
1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one
870679-59-7 95+%
1g
11605CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-ML036-100mg
1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one
870679-59-7 95+%
100mg
2257CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-ML036-250mg
1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one
870679-59-7 95+%
250mg
4404CNY 2021-05-08
Alichem
A019094079-100mg
1-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
870679-59-7 95%
100mg
$248.00 2023-08-31
Alichem
A019094079-250mg
1-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
870679-59-7 95%
250mg
$405.96 2023-08-31
Alichem
A019094079-1g
1-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
870679-59-7 95%
1g
$1024.85 2023-08-31
Chemenu
CM160978-1g
1-Amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
870679-59-7 95%
1g
$931 2021-06-16

1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tin ,  Hydrochloric acid Solvents: Ethanol ,  Water ;  30 min, reflux; reflux → rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  basified, rt
Reference
Tricyclic pyrazoles. 3. Synthesis, biological evaluation, and molecular modeling of analogues of the cannabinoid antagonist 8-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide
Murineddu, Gabriele; et al, Journal of Medicinal Chemistry, 2005, 48(23), 7351-7362

Production Method 2

Reaction Conditions
1.1 Reagents: Tin ,  Hydrochloric acid Solvents: Ethanol ,  Water ;  45 min, 110 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ;  basified, cooled
Reference
Vinyl Carbocations Generated under Basic Conditions and Their Intramolecular C-H Insertion Reactions
Wigman, Benjamin; et al, Journal of the American Chemical Society, 2019, 141(23), 9140-9144

Production Method 3

Reaction Conditions
1.1 Reagents: Tin ,  Hydrochloric acid Solvents: Ethanol ,  Water ;  45 min, 110 °C; cooled
1.2 Reagents: Sodium hydroxide Solvents: Water ;  basified
Reference
Strong bases and weak anions in catalytic C-H insertion reactions of vinyl carbocations
Wigman, Benjamin; et al, ChemRxiv, 2018, 1, 1-11

Production Method 4

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Potassium nitrate Solvents: Water ;  2 h, -5 °C; 1 h, -5 °C
2.1 Reagents: Tin ,  Hydrochloric acid Solvents: Ethanol ,  Water ;  30 min, reflux; reflux → rt
2.2 Reagents: Sodium hydroxide Solvents: Water ;  basified, rt
Reference
Tricyclic pyrazoles. 3. Synthesis, biological evaluation, and molecular modeling of analogues of the cannabinoid antagonist 8-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide
Murineddu, Gabriele; et al, Journal of Medicinal Chemistry, 2005, 48(23), 7351-7362

1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one Raw materials

1-Amino-6,7,8,9-tetrahydro-5H-benzo7annulen-5-one Preparation Products

Recommended suppliers
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.