Abietyl alcohol

Base Information

• Chemical Name: Abietyl alcohol
• CAS No.: 666-84-2
• Molecular Formula: C20H32 O
• Molecular Weight: 288.473
• European Community (EC) Number: 211-564-4
• UNII: 642VCU97YR
• DSSTox Substance ID: DTXSID40216769
• Nikkaji Number: J37.478D
• Wikidata: Q27110107
• Metabolomics Workbench ID: 28512
• ChEMBL ID: CHEMBL304954
• Mol file: 666-84-2.mol

Synonyms:abietol;abietyl alcohol

Chemical Property of Abietyl alcohol

Chemical Property:

• Boiling Point: 403.5oC at 760 mmHg
• Flash Point: 141.7oC
• PSA: 20.23000
• Density: 1g/cm3
• LogP: 5.11390
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 288.245315640
• Heavy Atom Count: 21
• Complexity: 472

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=CC2=CCC3C(CCCC3(C2CC1)C)(C)CO
• Isomeric SMILES: CC(C)C1=CC2=CC[C@H]3[C@](CCC[C@@]3([C@H]2CC1)C)(C)CO

Technology Process of Abietyl alcohol

There total 16 articles about Abietyl alcohol 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: 100.0%

abietic acid (514-10-3) → abietinol (666-84-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 15h; Reflux;

DOI:10.1016/j.ejmech.2009.01.014 DOI:10.1016/j.ejmech.2009.10.010

Reference yield: 100.0%

methyl abietate (127-25-3) → abietinol (666-84-2)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; for 6.5h; Ambient temperature;

Reference yield: 88.0%

N,N-dimethylabieticamide (58970-63-1) → abietinol (666-84-2)

Guidance literature:

With sodium hydride; sodium iodide; zinc(II) iodide; In tetrahydrofuran; mineral oil; at 40 ℃; for 12h; Sealed tube;

DOI:10.1002/anie.201900233

upstream raw materials:

abietic acid

methyl abietate

ethyl abietate

1-hydroxymethyl-abietane p-methylbenzenesulfonate

Downstream raw materials:

1-hydroxymethyl-abietane p-methylbenzenesulfonate

abietadien-18-yl acetate

dehydroabietinol

18-(phenylthio)abietadiene

Refernces

• 1、 Pferschy-Wenzig, Eva M.,Kunert, Olaf,Presser, Armin,Bauer, Rudolf. "In vitro anti-inflammatory activity of larch (Larix decidua L.) sawdust". . p. 11688 - 11693. Retrieved 2008.
• 2、 Guan, Xingchao,Li, Yulong,Xie, Zhipeng,Xie, Zhixiang,Xu, Zhezhe. "Total Synthesis of Nominal ent-Chlorabietol B". . p. 5724 - 5732. Retrieved 2020/05/19.
• 3、 Yang, Yunqin,Meng, Xiangtai,Zhu, Baolong,Jia, Ying,Cao, Xiaoji,Huang, Shenlin. "A Micellar Catalysis Strategy for Amidation of Alkynyl Bromides: Synthesis of Ynamides in Water". supporting information. p. 1166 - 1169. Retrieved 2019/01/04.