- Tungstate sulfuric acid as an efficient catalyst for the synthesis of benzoxazoles and benzothiazoles under solvent-free conditionsFarahi, Mahnaz; Karami, Bahador; Azari, Masume, Comptes Rendus Chimie, 2013, 16(11), 1029-1034
Cas no 95-21-6 (2-Methylbenzoxazole)
2-Methylbenzoxazole structure
Product Name:2-Methylbenzoxazole
CAS No:95-21-6
MF:C8H7NO
MW:133.147281885147
MDL:MFCD00005771
CID:34784
PubChem ID:7225
Update Time:2023-10-31
2-Methylbenzoxazole Chemical and Physical Properties
Names and Identifiers
-
- 2-Methylbenzoxazole
- 2-METHYLBENOXAZOLE
- METHYL-1,3-BENZOXAZOLINONE
- 2-METHYL-5-CHLORO-6-BENZOXAZOLAMINE
- Ethanesulfonyl chloride
- ESC
- 2-Methylbenzo[d]oxazole
- 2-methyl-1,3-benzoxazole
- 2-METHYLBENZODOXAZOLE
- 2-Methyl-benzooxazole
- 2-Methylbenzoxazoic
- 2-Methylbenzoxazol
- Benzoxazole,2-methyl
- METHYLBENZOXAZOLE
- TABAXOL
- usafek-982
- NSC 3824
- BENZOXAZOLE, 2-METHYL-
- 2-methyl-benzoxazole
- 2-Methyl-4,5-benzo-oxazole
- 2-Methyl-4,5-benzoxazole
- 2-Methylbenzoxazol [Czech]
- Z0P021V3TI
- DQSHFKPKFISSNM-UHFFFAOYSA-N
- Benzoxazole, methyl-
- 2-Methylbenzoxazole.
- PubChem8631
- KSC457Q9L
- 2-Methyl-1,3-benzoxazole #
- 2-Methylbenzoxazole (ACI)
-
- MDL: MFCD00005771
- Inchi: 1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
- InChI Key: DQSHFKPKFISSNM-UHFFFAOYSA-N
- SMILES: N1=C(C)OC2C1=CC=CC=2
- BRN: 112297
Computed Properties
- Exact Mass: 133.05300
- Monoisotopic Mass: 133.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 126
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.2
- Topological Polar Surface Area: 26
Experimental Properties
- Color/Form: Colorless or light yellow liquid.
- Density: 1.121?g/mL?at 25?°C(lit.)
- Melting Point: 5-10?°C (lit.)
- Boiling Point: 178?°C(lit.)
- Flash Point: Fahrenheit: 167 ° f < br / > Celsius: 75 ° C < br / >
- Refractive Index: n20/D 1.550(lit.)
- Water Partition Coefficient: Not miscible in water.
- PSA: 26.03000
- LogP: 2.13620
- FEMA: 3256
- Solubility: Soluble in ethanol and ether, insoluble in water.
2-Methylbenzoxazole Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Danger
- Hazard Statement: H302-H315-H318-H335
- Warning Statement: P261-P280-P305+P351+P338
- Hazardous Material transportation number:UN 1760
- WGK Germany:3
- Hazard Category Code: 22-37/38-41
- Safety Instruction: S26-S36/37/39-S37/39
- FLUKA BRAND F CODES:8
- RTECS:DM4850000
-
Hazardous Material Identification:
- Safety Term:8
- Packing Group:III
- Risk Phrases:R22; R36/37/38
- HazardClass:8
- PackingGroup:III
- TSCA:Yes
- Storage Condition:Refrigerator
2-Methylbenzoxazole Customs Data
- HS CODE:29349990
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-Methylbenzoxazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM160664-500g |
2-Methylbenzo[d]oxazole |
95-21-6 | 95% | 500g |
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| Apollo Scientific | OR925296-25g |
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| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M56840-100g |
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95-21-6 | 95% | 100g |
¥284.0 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M56840-10g |
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95-21-6 | 95% | 10g |
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| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M56840-5g |
2-Methylbenzo[d]oxazole |
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| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY048477-5g |
2-Methylbenzoxazole |
95-21-6 | ≥98% | 5g |
¥40.00 | 2025-04-11 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY048477-10g |
2-Methylbenzoxazole |
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¥40.00 | 2025-04-11 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY048477-25g |
2-Methylbenzoxazole |
95-21-6 | ≥98% | 25g |
¥64.00 | 2025-04-11 |
2-Methylbenzoxazole Production Method
Production Method 1
Reaction Conditions
1.1 Catalysts: Hydrogen (T-4)-dioxobis[sulfato(2-)-κO]tungstate(2-) (2:1) ; 9 min, 80 - 90 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Acetic acid , Indium Solvents: Benzene , Water ; 1 h, reflux
Reference
- Indium-mediated one-pot synthesis of benzoxazoles or oxazoles from 2-nitrophenols or 1-aryl-2-nitroethanonesLee, Jung June; Kim, Jihye; Jun, Young Moo; Lee, Byung Min; Kim, Byeong Hyo, Tetrahedron, 2009, 65(43), 8821-8831
Production Method 3
Reaction Conditions
1.1 Catalysts: Phosphonic acid, P-dodecyl-, zirconium(4+) salt (2:1) ; 2 h, 100 °C
1.2 Reagents: Sodium bicarbonate Solvents: Dichloromethane , Water
1.2 Reagents: Sodium bicarbonate Solvents: Dichloromethane , Water
Reference
- Zirconium dodecylphosphonate: selective and constructive catalyst for preparation of 2-Alkyl benzoxazoles from aliphatic carboxylic acidsGhassamipour, Soheila; Khadem Keshavarzi, Rasool, Iranian Journal of Chemistry & Chemical Engineering, 2017, 36(1), 27-33
Production Method 4
Reaction Conditions
1.1 Catalysts: p-Toluenesulfonic acid Solvents: Toluene ; 16 h, reflux
Reference
- Hydrogen-bond-supported dimeric boron complexes of potentially tetradentate β-diketiminate ligandsBarbon, Stephanie M.; Staroverov, Viktor N.; Boyle, Paul D.; Gilroy, Joe B., Dalton Transactions, 2014, 43(1), 240-250
Production Method 5
Reaction Conditions
1.1 Catalysts: 1H-Imidazolium, 1-methyl-3-(3-sulfopropyl)-, tetracosa-μ-oxododecaoxo[μ12-[phosp… Solvents: Water ; 18 min, rt
Reference
- A Green and Efficient Protocol for the Synthesis of Quinoxaline, Benzoxazole and Benzimidazole Derivatives Using Heteropolyanion-Based Ionic Liquids: As a Recyclable Solid CatalystVahdat, Seyed Mohammad; Baghery, Saeed, Combinatorial Chemistry & High Throughput Screening, 2013, 16(8), 618-627
Production Method 6
Reaction Conditions
1.1 Reagents: Phosphorus oxychloride Solvents: Chloroform ; 1 h, reflux
1.2 Reagents: Sodium hydroxide Solvents: Water ; pH 8, 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; pH 8, 0 °C
Reference
- Regioselective Syntheses of 2- and 4-Formylpyrido[2,1-b]benzoxazolesLi, Ke-Lai; Du, Zong-Bo; Guo, Can-Cheng; Chen, Qing-Yun, Journal of Organic Chemistry, 2009, 74(9), 3286-3292
Production Method 7
Reaction Conditions
Reference
- A comparison of some pyrolysis reactions of benzotriazoles, benzisoxazolones and benzisothiazolonesJanowski, Wit K.; Prager, Rolf H.; Smith, Jason A., Perkin 1, 2000, (19), 3212-3216
Production Method 8
Production Method 9
Reaction Conditions
1.1 Catalysts: Tin oxide (SnO2) (Nanoparticles) Solvents: Ethanol ; 30 min, rt
Reference
- Application of nano SnO2 as a green and recyclable catalyst for the synthesis of 2-aryl or alkylbenzoxazole derivatives under ambient temperatureVahdat, Seyed Mohammad; Raz, Shima Ghafouri; Baghery, Saeed, Journal of Chemical Sciences (Bangalore, 2014, 126(3), 579-585
Production Method 10
Reaction Conditions
Reference
- Photolysis and thermolysis of phenyl azide in acetic acidTakeuchi, Hiroshi; Koyama, Kikuhiko, Journal of the Chemical Society, 1981, (5), 202-4
Production Method 11
Reaction Conditions
1.1 Catalysts: Ferrocene, 1-(2-iodoethynyl)-2-phenyl- Solvents: Toluene ; 15 h, 90 °C
Reference
- Disubstituted Ferrocenyl Iodo- and Chalcogenoalkynes as Chiral Halogen and Chalcogen Bond DonorsMamane, Victor ; Peluso, Paola; Aubert, Emmanuel; Weiss, Robin; Wenger, Emmanuel; et al, Organometallics, 2020, 39(21), 3936-3950
Production Method 12
Reaction Conditions
1.1 Catalysts: Sulfuric acid ; 2 min
Reference
- Silica-sulfuric acid catalyzed microwave-assisted synthesis of substituted benzoxazoles and their antimicrobial activityAnand, M.; Ranjitha, A.; Himaja, M., International Research Journal of Pharmacy, 2011, 2(4), 211-213
Production Method 13
Reaction Conditions
1.1 Catalysts: Acetic acid, 2,2,2-trifluoro-, bismuth(3+) salt (3:1) ; 2 min, rt
Reference
- Mild and efficient synthesis of benzoxazoles, benzothiazoles, benzimidazoles, and oxazolo[4,5-b]pyridines catalyzed by Bi(III) salts under solvent-free conditionsMohammadpoor-Baltork, Iraj; Khosropour, Ahmad R.; Hojati, Seyedeh F., Monatshefte fuer Chemie, 2007, 138(7), 663-667
Production Method 14
Reaction Conditions
1.1 Catalysts: 1,3-Dibromo-5,5-dimethylhydantoin ; 2 min, rt
Reference
- 1,3-Dibromo-5,5-dimethylhydantoin as an efficient homogeneous catalyst for synthesis of benzoxazoles, benzimidazoles, and oxazolo[4,5-b]pyridinesHojati, Seyedeh Fatemeh; Maleki, Behrooz; Beykzadeh, Zahra, Monatshefte fuer Chemie, 2011, 142(1), 87-91
Production Method 15
Reaction Conditions
1.1 Catalysts: Sulfuric acid (silica-supported) ; 2 h, rt
Reference
- Silica sulfuric acid catalyzed synthesis of benzoxazoles, benzimidazoles and oxazolo[4,5-b]pyridines under heterogeneous and solvent-free conditionsMohammadpoor-Baltork, I.; Moghadam, M.; Tangestaninejad, S.; Mirkhani, V.; Zolfigol, M. A.; et al, Journal of the Iranian Chemical Society, 2008, 5,
Production Method 16
Reaction Conditions
Reference
- The synthesis of oxazoles by thermolysis or photolysis of 2-acyl isoxazol-5-onesAng, Kiah H.; Prager, Rolf H.; Smith, Jason A.; Weber, Ben; Williams, Craig M., Tetrahedron Letters, 1996, 37(5), 675-8
Production Method 17
Reaction Conditions
1.1 Reagents: Trifluoroacetic acid , Potassium peroxymonosulfate sulfate (2KHSO5.KHSO4.K2SO4) Solvents: 1,4-Dioxane ; rt → 90 °C
Reference
- C-H oxygenation and N-trifluoroacylation of arylamines under metal-free conditions. A convenient approach to 2-aminophenols and N-trifluoroacyl-ortho-aminophenolsVenkateswarlu, Vunnam; Kumar, K. A. Aravinda; Balgotra, Shilpi; Reddy, G. Lakshma; Srinivas, M.; et al, Chemistry - A European Journal, 2014, 20(22), 6641-6645
Production Method 18
Reaction Conditions
1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(OH)2O10.xH2O) Solvents: Acetonitrile ; 14 h, 90 °C
Reference
- Metal free montmorillonite KSF clay catalyzed practical synthesis of benzoxazoles and benzothiazoles under aerobic conditionsKummari, Vijaya Babu; Chiranjeevi, Kalavakuntla; Suman Kumar, Alleni; Aravind Kumar, Rathod; Yadav, Jhillu Singh, Synthetic Communications, 2019, 49(23), 3335-3342
Production Method 19
Production Method 20
2-Methylbenzoxazole Raw materials
- 1,1,1-Trimethoxyethane
- Acetamide,N-[2-(acetyloxy)phenyl]-
- N-Methylbenzamide
- Trimethyl orthopropionate
- 2’-Hydroxyacetophenone Oxime
- 1-Acetyl-2,1-benzisoxazol-3(1H)-one
- Triethyl orthoacetate
- Thioacetamide
- 2-Acetamidophenol
- Phenol, 2-amino-, 1-acetate
2-Methylbenzoxazole Preparation Products
2-Methylbenzoxazole Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Benzoxazoles Benzoxazoles
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Benzoxazoles
- Solvents and Organic Chemicals Organic Compounds Heterocyclic Compounds
- Solvents and Organic Chemicals Organic Compounds Hydrocarbons
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