Carbamic acid, [2-(1-hexynyl)phenyl]-, methyl ester

Base Information

Chemical Name:Carbamic acid, [2-(1-hexynyl)phenyl]-, methyl ester
CAS No.:116491-54-4
Molecular Formula:C14H17NO2
Molecular Weight:231.294
Hs Code.:
DSSTox Substance ID:DTXSID10454333
Nikkaji Number:J1.659.269B
Wikidata:Q82275803
Mol file:116491-54-4.mol

Synonyms:116491-54-4;Carbamic acid, [2-(1-hexynyl)phenyl]-, methyl ester;DTXSID10454333;[2-(1-Hexynyl)phenyl]carbamic acid methyl ester

Suppliers and Price of Carbamic acid, [2-(1-hexynyl)phenyl]-, methyl ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Carbamic acid, [2-(1-hexynyl)phenyl]-, methyl ester

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:231.125928785
Heavy Atom Count:17
Complexity:300

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC#CC1=CC=CC=C1NC(=O)OC

Technology Process of Carbamic acid, [2-(1-hexynyl)phenyl]-, methyl ester

There total 2 articles about Carbamic acid, [2-(1-hexynyl)phenyl]-, methyl ester 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: 51.0%

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 116491-50-0
2-(hex-1-ynyl)aniline

: 116491-54-4
methyl [2-(hex-1-ynyl)phenyl]carbamate

Guidance literature:: With oxygen; potassium iodide; palladium(II) iodide;
DOI:10.1002/1099-0690(200112)2001:24<4607::AID-EJOC4607>3.0.CO;2-D

Reference yield:

: 3930-83-4
o-iodobenzamide

: 116491-54-4
methyl [2-(hex-1-ynyl)phenyl]carbamate

Guidance literature:: Multi-step reaction with 2 steps

2: [bis(acetoxy)iodo]benzene / 1,2-dichloro-ethane / 2 h / 60 °C

With [bis(acetoxy)iodo]benzene; In 1,2-dichloro-ethane; 1: Sonogashira coupling;
DOI:10.1021/jo201636a

Reference yield: 68.0%

: 66003-76-7
Diphenyliodonium triflate

: 116491-54-4
methyl [2-(hex-1-ynyl)phenyl]carbamate

: methyl 2-butyl-3-phenyl-1H-indole-1-carboxylate

Guidance literature:: With palladium diacetate; In 1,2-dichloro-ethane; at 150 ℃; for 70h; regioselective reaction; Inert atmosphere;
DOI:10.1002/ejoc.201601162