1-(3,4-Dimethoxyphenyl)propane-1,3-diol

Base Information

• Chemical Name: 1-(3,4-Dimethoxyphenyl)propane-1,3-diol
• CAS No.: 76788-37-9
• Molecular Formula: C11H16O4
• Molecular Weight: 212.246
• DSSTox Substance ID: DTXSID80556277
• Wikidata: Q82437782
• Mol file: 76788-37-9.mol

Synonyms:1-(3,4-Dimethoxyphenyl)propane-1,3-diol;76788-37-9;2166121-97-5;(S)-1-(3,4-Dimethoxyphenyl)-1,3-propanediol;SCHEMBL6491466;DTXSID80556277;SY348667

Chemical Property of 1-(3,4-Dimethoxyphenyl)propane-1,3-diol

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 212.10485899
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(CCO)O)OC

Technology Process of 1-(3,4-Dimethoxyphenyl)propane-1,3-diol

There total 16 articles about 1-(3,4-Dimethoxyphenyl)propane-1,3-diol 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: 86.0%

1-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one (10548-77-3) → 1-(3,4-dimethoxyphenyl)-1,3-propanediol (76788-37-9) + 2-methoxy-phenol (90-05-1)

Guidance literature:

With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 32h; chemoselective reaction; Irradiation; Green chemistry;

DOI:10.1021/acscatal.8b04172

Reference yield: 84.0%

2-(2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-3-hydroxypropan-1-one → 1,3-dimethoxy-2-hydroxy-benzene (91-10-1) + 1-(3,4-dimethoxyphenyl)-1,3-propanediol (76788-37-9)

Guidance literature:

With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 32h; chemoselective reaction; Irradiation; Green chemistry;

DOI:10.1021/acscatal.8b04172

Reference yield: 76.0%

2-(4-acetylphenoxy)-1-(3,4-dimethoxyphenyl)-3-hydroxypropan-1-one → 1-(4-hydroxyphenyl)ethanol (93453-79-3,166164-76-7,2380-91-8) + 1-(3,4-dimethoxyphenyl)-1,3-propanediol (76788-37-9)

Guidance literature:

With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 32h; chemoselective reaction; Irradiation; Green chemistry;

DOI:10.1021/acscatal.8b04172

upstream raw materials:

(E)-3',4'-dimethoxycinnamyl alcohol

(Z)-3-(3,4-dimethoxyphenyl)-2-propen-1-ol

3,4-dimethoxycinnamaldehyde

ethyl 3,4-dimethoxybenzoylacetate

Downstream raw materials:

1-(3,4-dimethoxyphenyl)-3-hydroxypropan-1-one

3,4-dimethoxy-cinnamaldehyde

3,4-dimethoxy-benzaldehyde