1-Methylpropyl cyanoacetate

Base Information

Chemical Name:1-Methylpropyl cyanoacetate
CAS No.:14447-16-6
Molecular Formula:C7H11 N O2
Molecular Weight:141.17
Hs Code.:2926909090
European Community (EC) Number:238-425-0
DSSTox Substance ID:DTXSID20932319
Nikkaji Number:J217.017E
Mol file:14447-16-6.mol

Synonyms:1-Methylpropyl cyanoacetate;14447-16-6;butan-2-yl 2-cyanoacetate;EINECS 238-425-0;Butan-2-yl cyanoacetate;SCHEMBL1336184;Cyanoacetic acid sec-butyl ester;DTXSID20932319;Acetic acid, cyano-, 1-methylpropyl ester

Suppliers and Price of 1-Methylpropyl cyanoacetate

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
Packaging
price

Total 6 raw suppliers

Chemical Property of 1-Methylpropyl cyanoacetate

Chemical Property:

Vapor Pressure:0.304mmHg at 25°C
Boiling Point:201.7°Cat760mmHg
PKA:2.84±0.10(Predicted)
Flash Point:82.9°C
PSA：50.09000
Density:0.998g/cm³
LogP:1.24178
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:141.078978594
Heavy Atom Count:10
Complexity:156

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)OC(=O)CC#N

Technology Process of 1-Methylpropyl cyanoacetate

There total 2 articles about 1-Methylpropyl cyanoacetate 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:

: 372-09-8
cyanoacetic acid

: 78-92-2,15892-23-6
iso-butanol

: 14447-16-6
sec-butyl cyanoacetate

Guidance literature:: With sulfuric acid; In benzene;
DOI:10.1016/S0040-4020(01)83315-9

Reference yield:

: 14447-16-6
sec-butyl cyanoacetate

Guidance literature:: NC-CH2-CO2CH3, sek.-Butanol;

Reference yield:

: 14447-16-6
sec-butyl cyanoacetate

: 202257-55-4
7-cyano-7-(sec-butoxycarbonyl)-1,4-benzoquinonemethide

Guidance literature:: Multi-step reaction with 3 steps

1: AcONH₄; AcOH / toluene / 48 h / Heating

2: aq. H₂SO₄ / 1 h / Heating

3: 11 percent / activated MnO₂; 3 Angstroem molecular sieves / CHCl₃ / 0.67 h / Heating

With manganese(IV) oxide; 3 A molecular sieve; sulfuric acid; ammonium acetate; acetic acid; In chloroform; toluene;
DOI:10.1021/ma049596r