1,3-Heptanediol

Base Information

Chemical Name:1,3-Heptanediol
CAS No.:23433-04-7
Molecular Formula:C₇H₁₆O₂
Molecular Weight:132.203
Hs Code.:2905399090
DSSTox Substance ID:DTXSID30946088
Nikkaji Number:J112.134K
Mol file:23433-04-7.mol

Synonyms:1,3-Heptanediol;1,3-Dihydroxyheptane;23433-04-7;heptane-1,3-diol;SCHEMBL427481;DTXSID30946088;LS-74325

Suppliers and Price of 1,3-Heptanediol

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 4 raw suppliers

Chemical Property of 1,3-Heptanediol

Chemical Property:

Vapor Pressure:0.00659mmHg at 25°C
Melting Point:44.24°C (estimate)
Refractive Index:1.4499 (estimate)
Boiling Point:240.5°Cat760mmHg
PKA:14.83±0.20(Predicted)
Flash Point:110.8°C
PSA：40.46000
Density:0.947g/cm³
LogP:0.91990
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:132.115029749
Heavy Atom Count:9
Complexity:54.9

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(CCO)O

Technology Process of 1,3-Heptanediol

There total 13 articles about 1,3-Heptanediol 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: 99.0%

: 4-butyl-1,3-dioxan-2-one

: 23433-04-7
(4R)-4-butyl-2-phenyl-1,3-dioxane

Guidance literature:: With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen; In tetrahydrofuran; at 140 ℃; for 4h; under 38002.6 Torr; Autoclave;

Reference yield: 76.0%

: 39815-78-6
methyl 3-oxoheptanoate

: 23433-04-7
(4R)-4-butyl-2-phenyl-1,3-dioxane

Guidance literature:: methyl 3-oxoheptanoate; With sodium tetrahydroborate; In ethanol; at 5 - 20 ℃;

With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃;

With sodium hydroxide; In water; at 20 ℃; for 1h;

Reference yield: 67.0%

: 1631-83-0
diphenylsilyl chloride

: 51062-08-9
1-hydroxy-3-heptanone

: 23433-04-7
(4R)-4-butyl-2-phenyl-1,3-dioxane

Guidance literature:: diphenylsilyl chloride; 1-hydroxy-3-heptanone; With 1H-imidazole; triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;
DOI:10.1021/ol1024635