12-Chlorodehydroabietic acid

Base Information

Chemical Name:12-Chlorodehydroabietic acid
CAS No.:65310-45-4
Molecular Formula:C20H27ClO2
Molecular Weight:334.88
Hs Code.:
DSSTox Substance ID:DTXSID30983938
Nikkaji Number:J330.599F
Mol file:65310-45-4.mol

Synonyms:12-Chlorodehydroabietic acid;65310-45-4;1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-;12-Chloroabieta-8,11,13-trien-18-oic acid;12-Chloroabieta-8(14),9(11),12-trien-18-oic acid;DTXSID30983938;AKOS040758260;(1R,4aS,10aR)-6-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid;1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4abeta,10aalpha))-;HY-133595;CS-0128321

Suppliers and Price of 12-Chlorodehydroabietic 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 3 raw suppliers

Chemical Property of 12-Chlorodehydroabietic acid

Chemical Property:

Vapor Pressure:1.03E-08mmHg at 25°C
Boiling Point:445.4°C at 760 mmHg
Flash Point:223.1°C
PSA：37.30000
Density:1.132g/cm³
LogP:5.55830
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:334.1699578
Heavy Atom Count:23
Complexity:476

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)Cl
Isomeric SMILES:CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)Cl

Technology Process of 12-Chlorodehydroabietic acid

There total 2 articles about 12-Chlorodehydroabietic 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:

: 911316-54-6
dehydroabietic acid

: 65281-76-7
14-chlorodehydroabietic acid

: 65310-45-4
12-chlorodehydroabietic acid

Guidance literature:: With silica gel; chlorine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; silica gel; iron(III) chloride; In tetrachloromethane; for 11h; Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature; dark;
DOI:10.1002/hlca.19820650504