3-Cyano-3-ethyl-5-methylhexanoic acid ethyl ester

Base Information

Chemical Name:3-Cyano-3-ethyl-5-methylhexanoic acid ethyl ester
CAS No.:90355-26-3
Molecular Formula:C₁₁H₁₉NO₂
Molecular Weight:197.277
Hs Code.:
DSSTox Substance ID:DTXSID20462646
Mol file:90355-26-3.mol

Synonyms:90355-26-3;3-CYANO-3-ETHYL-5-METHYLHEXANOIC ACID ETHYL ESTER;ETHYL 3-CYANO-3-ETHYL-5-METHYLHEXANOATE;DTXSID20462646

Suppliers and Price of 3-Cyano-3-ethyl-5-methylhexanoic acid ethyl 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
Packaging
price

American Custom Chemicals Corporation
3-CYANO-3-ETHYL-5-METHYLHEXANOIC ACID ETHYL ESTER 95.00%
5G
$ 987.53

Total 6 raw suppliers

Chemical Property of 3-Cyano-3-ethyl-5-methylhexanoic acid ethyl ester

Chemical Property:

Vapor Pressure:0.00176mmHg at 25°C
Refractive Index:1.44
Boiling Point:293.1°C at 760 mmHg
Flash Point:134.7°C
PSA：50.09000
Density:0.952g/cm³
LogP:2.90568
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:211.157228913
Heavy Atom Count:15
Complexity:252

Purity/Quality:

95% ^*data from raw suppliers

3-CYANO-3-ETHYL-5-METHYLHEXANOIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Cyano-3-ethyl-5-methylhexanoic acid ethyl ester

There total 2 articles about 3-Cyano-3-ethyl-5-methylhexanoic acid ethyl 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:

: 90355-22-9
2-Cyano-2-ethyl-2-propyl-acetic acid chloride

: 90355-26-3
3-Cyano-3-ethyl-3-propyl-propionic acid ethylester

Guidance literature:: Multi-step reaction with 2 steps

1: diethyl ether / 1 h / Ambient temperature

2: Ag₂O / 2 h / Heating

With silver(l) oxide; In diethyl ether;
DOI:10.1002/ardp.19843170413