2-Heptylpropane-1,3-diol

Base Information

Chemical Name:2-Heptylpropane-1,3-diol
CAS No.:5468-79-1
Molecular Formula:C10H22 O2
Molecular Weight:174.283
Hs Code.:
NSC Number:15105
DSSTox Substance ID:DTXSID10280018
Nikkaji Number:J803.266A
Wikidata:Q82013032

Synonyms:2-heptylpropane-1,3-diol;5468-79-1;1,3-Propanediol,2-heptyl-;NSC15105;2-hydroxymethylnonan-1-ol;2-heptyl-1,3-propanediol;2-n-Heptylpropan-1,3-diol;2-n-heptylpropane-1,3-diol;SCHEMBL4598071;DTXSID10280018;NSC 15105;NSC-15105;AKOS018005441

Suppliers and Price of 2-Heptylpropane-1,3-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 5 raw suppliers

Chemical Property of 2-Heptylpropane-1,3-diol

Chemical Property:

Vapor Pressure:0.000358mmHg at 25°C
Boiling Point:283.8°Cat760mmHg
Flash Point:128.3°C
Density:0.922g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:174.161979940
Heavy Atom Count:12
Complexity:79.9

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC(CO)CO

Technology Process of 2-Heptylpropane-1,3-diol

There total 13 articles about 2-Heptylpropane-1,3-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: 75.0%

: 607-83-0
diethyl heptylmalonate

: 5468-79-1
2-heptylpropane-1,3-diol

Guidance literature:: With lithium aluminium tetrahydride; In diethyl ether; for 2h; Ambient temperature;

Reference yield: 6.0%

: 629-04-9
1-Bromoheptane

: 105-53-3
diethyl malonate

: 5468-79-1
2-heptylpropane-1,3-diol

Guidance literature:: With hydrogenchloride; sodium carbonate; In diethyl ether; ethanol; water;

Reference yield:

: 111-71-7
heptanal

: 5468-79-1
2-heptylpropane-1,3-diol

Guidance literature:: Multi-step reaction with 6 steps

1: 58 percent / piperidinium acetate / benzene / Heating

2: 72 percent / lithium diisopropylamide / tetrahydrofuran; hexamethylphosphoric acid triamide; hexane / -78 °C

3: 14.06 g / LiAlH₄ / diethyl ether / a.) 0 deg C, 10 min, b.) room temperature, 3.5 h

4: 83 percent / Et₃N, DMAP / CH₂Cl₂ / 20 h / Ambient temperature

5: 91 percent / H₂ / 10percent Pd-C / ethanol / Ambient temperature

6: H₂O; propan-2-ol / pig pancreatic lipase, pH 7 buffer (K₂HPO₄-KH₂PO₄)

With dmap; lithium aluminium tetrahydride; hydrogen; piperdinium acetate; triethylamine; lithium diisopropyl amide; palladium on activated charcoal; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; diethyl ether; ethanol; hexane; dichloromethane; water; isopropyl alcohol; benzene;
DOI:10.1021/jo00031a039