2-Methyl-3-butyn-2-YL 4-nitrobenzoate

Base Information

Chemical Name:2-Methyl-3-butyn-2-YL 4-nitrobenzoate
CAS No.:42969-18-6
Molecular Formula:C₁₂H₁₁NO₄
Molecular Weight:233.224
Hs Code.:
European Community (EC) Number:665-021-5
Nikkaji Number:J1.338.494K
Mol file:42969-18-6.mol

Synonyms:2-METHYL-3-BUTYN-2-YL 4-NITROBENZOATE;AKOS024324104;4-Nitrobenzoic acid 1,1-dimethyl-2-propynyl ester

Suppliers and Price of 2-Methyl-3-butyn-2-YL 4-nitrobenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Methyl-3-butyn-2-YL 4-nitrobenzoate

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:233.06880783
Heavy Atom Count:17
Complexity:352

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C#C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 2-Methyl-3-butyn-2-YL 4-nitrobenzoate

There total 1 articles about 2-Methyl-3-butyn-2-YL 4-nitrobenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 9.0%

: 3017-69-4
2-methyl-1-propenylbromide

: 122-04-3
4-nitro-benzoyl chloride

: 42969-18-6
2-methyl-3-butyl-2-yl 4-nitrobenzoate

: 3-methylbuta-1,3-dien-1-yl 4-nitrobenzoate

Guidance literature:: 2-methyl-1-propenylbromide; CrCO₆; With tert.-butyl lithium; In diethyl ether; pentane; at -78 - 20 ℃;

4-nitro-benzoyl chloride; With dmap; In dichloromethane; at -40 - 20 ℃;
DOI:10.1016/S0040-4020(00)00216-7

Reference yield: 28.0%

: 42969-18-6
2-methyl-3-butyl-2-yl 4-nitrobenzoate

: 542-92-7,25568-84-7,7313-32-8
cyclopenta-1,3-diene

: C₁₇H₁₇NO₄

: C₁₇H₁₇NO₄

Guidance literature:: With silver hexafluoroantimonate; dichloro(2-picolinato)gold(III); In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1016/j.tetlet.2010.02.099