abieta-8(14),13(15)-dien-18-ol

Base Information

• Chemical Name: abieta-8(14),13(15)-dien-18-ol
• CAS No.: 640-42-6
• Molecular Formula: C₂₀H₃₂O
• Molecular Weight: 288.473
• DSSTox Substance ID: DTXSID30332104
• Nikkaji Number: J428.787H
• Wikidata: Q27110208
• Metabolomics Workbench ID: 69778
• Mol file: 640-42-6.mol

Synonyms:1-Phenanthrenemethanol,1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethylidene)-,[1R-(1a,4ab,4ba,10aa)]-; Podocarp-8(14)-en-15-ol,13-isopropylidene- (8CI); Neoabietinol; Neoabietol

Chemical Property of abieta-8(14),13(15)-dien-18-ol

Chemical Property:

• Vapor Pressure: 5.59E-08mmHg at 25°C
• Boiling Point: 397.8°Cat760mmHg
• Flash Point: 138.6°C
• PSA: 20.23000
• Density: 1g/cm³
• LogP: 5.25800
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 288.245315640
• Heavy Atom Count: 21
• Complexity: 482

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)CO)C)C
• Isomeric SMILES: CC(=C1CC[C@H]2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C)C

Technology Process of abieta-8(14),13(15)-dien-18-ol

There total 2 articles about abieta-8(14),13(15)-dien-18-ol 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: 97.0%

methyl neoabietate (3310-97-2) → neoabietadien-18-ol (640-42-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 1h;

DOI:10.1016/S0040-4020(01)00605-6

Reference yield:

neoabietic acid (471-77-2) → neoabietadien-18-ol (640-42-6)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/ja01563a061

Reference yield: 63.0%

neoabietadien-18-ol (640-42-6) + 1-amino-3-(dimethylamino)propane (109-55-7) + p-toluenesulfonyl chloride (98-59-9) → N-(3-(dimethylamino)propyl)-4-methylbenzenesulfonamide (10256-77-6) + neoabietadien-18-yl p-toluenesulfonate

Guidance literature:

neoabietadien-18-ol; p-toluenesulfonyl chloride; With pyridine; at 25 ℃; for 24h;

1-amino-3-(dimethylamino)propane; at 0 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)00605-6

upstream raw materials:

neoabietic acid

methyl neoabietate

Downstream raw materials:

N-(3-(dimethylamino)propyl)-4-methylbenzenesulfonamide

Refernces