Bjerkanderol A

Base Information

• Chemical Name: Bjerkanderol A
• CAS No.: 103687-27-0
• Molecular Formula: C₁₀H₁₄O₃
• Molecular Weight: 182.219
• DSSTox Substance ID: DTXSID901313970
• Nikkaji Number: J763.883C
• Wikidata: Q75055263
• Metabolomics Workbench ID: 118935
• Mol file: 103687-27-0.mol

Synonyms:Bjerkanderol A;erythro-Anethole Glycol;CHEBI:189323;DTXSID901313970;(1S,2R)-1-(4-Methoxyphenyl)-1,2-propanediol;(1S,2R)-1-(4-methoxyphenyl)propane-1,2-diol;103687-27-0

Chemical Property of Bjerkanderol A

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(C1=CC=C(C=C1)OC)O)O
• Isomeric SMILES: C[C@H]([C@H](C1=CC=C(C=C1)OC)O)O

Technology Process of Bjerkanderol A

There total 24 articles about Bjerkanderol A 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: 99.0%

(±)-(1R,2R)-2-hydroxy-1-(4-methoxyphenyl)propyl acetate → (±)-(1R,2R)-1-(4-methoxyphenyl)propane-1,2-diol (51410-48-1,94497-48-0,94497-49-1,103687-27-0,111004-04-7,112018-74-3)

Guidance literature:

With methanol; potassium carbonate;

DOI:10.1021/acs.orglett.6b02959

Reference yield: 98.0%

(±)-(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl acetate → (±)-(1R,2R)-1-(4-methoxyphenyl)propane-1,2-diol (51410-48-1,94497-48-0,94497-49-1,103687-27-0,111004-04-7,112018-74-3)

Guidance literature:

With methanol; potassium carbonate;

DOI:10.1021/acs.orglett.6b02959

Reference yield: 91.0%

E-1-(4'-methoxyphenyl)prop-1-ene (4180-23-8,25086-72-0,63589-56-0) → (±)-(1R,2R)-1-(4-methoxyphenyl)propane-1,2-diol (51410-48-1,94497-48-0,94497-49-1,103687-27-0,111004-04-7,112018-74-3)

Guidance literature:

With AD-mix-β; In water; tert-butyl alcohol; at 20 ℃; for 24h;

DOI:10.1021/jo048248k

upstream raw materials:

E-1-(4'-methoxyphenyl)prop-1-ene

trans-β-methyl-4-methoxystyrene oxide

cis-4-methoxy-β-methylstyrene oxide

spirocyclobutylmalonoyl peroxide

Downstream raw materials:

4-methoxy-benzaldehyde

acetaldehyde

4-methoxy-phenol

(1SR,2RS)-1-(4-methoxy-phenyl)-propane-1,2-diol