3,7-Dihydroxy-7-n-propylcholanoic acid

Base Information

Chemical Name:3,7-Dihydroxy-7-n-propylcholanoic acid
CAS No.:124729-58-4
Molecular Formula:C₂₇H₄₆O₄
Molecular Weight:434.66
Hs Code.:
Nikkaji Number:J1.203.937I
Mol file:124729-58-4.mol

Synonyms:3,7-dihydroxy-7-n-propylcholanoic acid;7-n-propyl-chenodeoxycholic acid;7-n-propylursodeoxycholic acid;7-prCDC;7-prUDC

Suppliers and Price of 3,7-Dihydroxy-7-n-propylcholanoic acid

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 2 raw suppliers

Chemical Property of 3,7-Dihydroxy-7-n-propylcholanoic acid

Chemical Property:

Vapor Pressure:2.36E-15mmHg at 25°C
Boiling Point:569.8°Cat760mmHg
Flash Point:312.4°C
PSA：77.76000
Density:1.085g/cm³
LogP:5.64820
XLogP3:6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:434.33960994
Heavy Atom Count:31
Complexity:678

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:CCCC1(CC2CC(CCC2(C3C1C4CCC(C4(CC3)C)C(C)CCC(=O)O)C)O)O
Isomeric SMILES:CCC[C@]1(C[C@@H]2C[C@@H](CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCC(=O)O)C)O)O

Technology Process of 3,7-Dihydroxy-7-n-propylcholanoic acid

There total 4 articles about 3,7-Dihydroxy-7-n-propylcholanoic acid 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: 36.0%

: 4651-67-6
7-Ketolithocholic acid

: 2234-82-4
1-propylmagnesium chloride

: 124729-58-4
3α,7α-dihydroxy-7β-n-propyl-5β-cholanoic acid

Guidance literature:: In tetrahydrofuran; for 2h; Inert atmosphere; Reflux;
DOI:10.3389/fphar.2021.713149

Reference yield:

: 10538-59-7
7-ketolithocholic methyl ester

: 124729-58-4
3α,7α-dihydroxy-7β-n-propyl-5β-cholanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 840 mg / diethyl ether / 2 h / Ambient temperature

2: 810 mg / 5percent methanolic KOH / 1 h / Heating

With potassium hydroxide; In diethyl ether;
DOI:10.1016/0039-128X(89)90148-7