7S2Pmb3kjt

Base Information

• Chemical Name: 7S2Pmb3kjt
• CAS No.: 17611-16-4
• Molecular Formula: C₂₀H₃₂O₂
• Molecular Weight: 304.473
• UNII: 7S2PMB3KJT
• Nikkaji Number: J35.073G
• Mol file: 17611-16-4.mol

Synonyms:7S2PMB3KJT;UNII-7S2PMB3KJT;NSC-149539;13alphaH-delta8-Dihydroabietic acid;Podocarp-8-en-15-oic acid, 13beta-isopropyl-;(1R,4aS,7R,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-Dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid;1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,7R,10aR)-;13.ALPHA.H-.DELTA.8-DIHYDROABIETIC ACID;PODOCARP-8-EN-15-OIC ACID, 13.BETA.-ISOPROPYL-

Chemical Property of 7S2Pmb3kjt

Chemical Property:

• Vapor Pressure: 2.53E-08mmHg at 25°C
• Boiling Point: 422.5°Cat760mmHg
• PKA: 4.69±0.60(Predicted)
• Flash Point: 202.6°C
• PSA: 37.30000
• Density: 1.04g/cm³
• LogP: 5.43020
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 304.240230259
• Heavy Atom Count: 22
• Complexity: 504

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCC2=C(C1)CCC3C2(CCCC3(C)C(=O)O)C
• Isomeric SMILES: CC(C)[C@@H]1CCC2=C(C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C

Technology Process of 7S2Pmb3kjt

There total 8 articles about 7S2Pmb3kjt 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:

→ (+)-13β-abiet-8-en-18-oic acid (17611-16-4)

Guidance literature:

With hydrogen bromide; acetic acid;

Reference yield:

13αH-abiet-8(14)-en-18-oic acid (19407-37-5) → (+)-13β-abiet-8-en-18-oic acid (17611-16-4)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1021/jo01258a005

Reference yield:

levopimaric acid (79-54-9) → (+)-13β-abiet-8-en-18-oic acid (17611-16-4)

Guidance literature:

Multi-step reaction with 2 steps

1: Li

2: TsOH

With lithium; toluene-4-sulfonic acid;

DOI:10.1021/jo01258a005

upstream raw materials:

13αH-abiet-8(14)-en-18-oic acid

levopimaric acid

neoabietic acid

abietic acid dipentylammonium salt

Downstream raw materials:

methyl (+)-13β-abiet-8-en-18-oate

methyl 7,11-dioxo-13β-abieta-8-en-18-oate

N-phenyl-Δ⁸-dihydroabietamide

(1R,4aS,7R)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-phenanthrene-1-carboxylic acid o-tolylamide