14-Chlorodehydroabietic acid

Base Information

Chemical Name:14-Chlorodehydroabietic acid
CAS No.:65281-76-7
Deprecated CAS:83353-95-1
Molecular Formula:C20H27ClO2
Molecular Weight:334.88
Hs Code.:
DSSTox Substance ID:DTXSID30858814
Nikkaji Number:J330.600C
Wikidata:Q81977828
Mol file:65281-76-7.mol

Synonyms:14-Chlorodehydroabietic acid;65281-76-7;(1R,4aS,10aR)-8-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid;1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-;DTXSID30858814;1-Phenanthrenecarboxylic acid, 8-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4abeta,10aalpha))-;8-Chloro-1,4a-dimethyl-7-(1-methylethyl)-1R,2,3,4,4aS,9,10,10aR-octahydro-1-phenanthrenecarboxylic acid;InChI=1/C20H27ClO2/c1-12(2)13-6-8-15-14(17(13)21)7-9-16-19(15,3)10-5-11-20(16,4)18(22)23/h6,8,12,16H,5,7,9-11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s

Suppliers and Price of 14-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

Usbiological
14-Chlorodehydroabietic Acid
2.5mg
$ 496.00

TRC
14-ChlorodehydroabieticAcid
10mg
$ 695.00

Total 9 raw suppliers

Chemical Property of 14-Chlorodehydroabietic acid

Chemical Property:

Vapor Pressure:6.54E-09mmHg at 25°C
Boiling Point:450.7°C at 760 mmHg
Flash Point:226.4°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

14-Chlorodehydroabietic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=C(C2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C)Cl
Isomeric SMILES:CC(C)C1=C(C2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C)Cl
Uses 14-Chlorodehydroabietic Acid is a chlorinated resin acid.

Technology Process of 14-Chlorodehydroabietic acid

There total 2 articles about 14-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

Reference yield:

: 1-(14-chlorodehydroabietoyl) imidazole

: 65281-76-7
14-chlorodehydroabietic acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran; for 48h; Yield given;
DOI:10.1002/hlca.19820650504

Reference yield:

: 65281-76-7
14-chlorodehydroabietic acid

: (1R,3R,4aS)-8-Chloro-3-hydroxy-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid

: 83400-64-0
(1R,3R,4aS)-8-Chloro-3-hydroxy-7-(2-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid

: 83353-98-4
(1R,3R,4aS)-8-Chloro-3-hydroxy-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid

: 83400-65-1
(1R,3R,4aS)-8-Chloro-7-(1,2-dihydroxy-1-methyl-ethyl)-3-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid

Guidance literature:: With sodium hydroxide; buffer(KH₂PO₄, (NH₄)2HPO₄, NaCl, MgSO₄*7H₂O); Mortierella isabellina; In ethanol; water; at 35 ℃; biotransformation;
DOI:10.1002/hlca.19820650503