2-Heptylbutane-1,4-diol

Base Information

Chemical Name:2-Heptylbutane-1,4-diol
CAS No.:100536-95-6
Molecular Formula:C11H24O2
Molecular Weight:188.30700
Hs Code.:
DSSTox Substance ID:DTXSID30561492
Nikkaji Number:J292.997J
Mol file:100536-95-6.mol

Synonyms:2-HEPTYLBUTANE-1,4-DIOL;100536-95-6;2-Heptyl-1,4-butanediol;SCHEMBL20983227;DTXSID30561492

Suppliers and Price of 2-Heptylbutane-1,4-diol

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 1 raw suppliers

Chemical Property of 2-Heptylbutane-1,4-diol

Chemical Property:

PSA：40.46000
LogP:2.33780
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:188.177630004
Heavy Atom Count:13
Complexity:94.1

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC(CCO)CO

Technology Process of 2-Heptylbutane-1,4-diol

There total 7 articles about 2-Heptylbutane-1,4-diol 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: 84.0%

: 124-11-8
non-1-ene

: 97-93-8
triethylaluminum

: 100536-95-6
7-heptylbutan-1,4-diol

Guidance literature:: With oxygen; diisobutylaluminium hydride; (S)-salsolidine; zirconocene dichloride; In benzene; at 20 ℃; for 24h;
DOI:10.1016/j.jorganchem.2003.09.055

Reference yield:

: 124-11-8
non-1-ene

: 97-93-8
triethylaluminum

: 100536-95-6
7-heptylbutan-1,4-diol

: (2S)-ethyl-1-nonanol

: (2R)-ethyl-1-nonanol

Guidance literature:: non-1-ene; triethylaluminum; With bis(1-(-)-neomenthylindenyl)zirconium dichloride; In dichloromethane; at 20 - 25 ℃; for 24h; Inert atmosphere; Schlenk technique;

With oxygen; In dichloromethane; at 0 ℃; for 26h; enantioselective reaction;
DOI:10.1016/j.tetasy.2014.11.019