3-(3,4-Dichlorophenyl)prop-2-en-1-ol

Base Information

• Chemical Name: 3-(3,4-Dichlorophenyl)prop-2-en-1-ol
• CAS No.: 56984-70-4
• Molecular Formula: C9H8Cl2O
• Molecular Weight: 203.068
• DSSTox Substance ID: DTXSID90706105
• Mol file: 56984-70-4.mol

Synonyms:3-(3,4-Dichlorophenyl)prop-2-en-1-ol;3,4-dichlorocinnamyl alcohol;DTXSID90706105;BZHUHALWBXDAIN-UHFFFAOYSA-N;AKOS017557484;3-(3,4-dichlorophenyl)-2-propene-1-ol;3-(3,4-dichloro-phenyl)-2-propene-1-ol

Chemical Property of 3-(3,4-Dichlorophenyl)prop-2-en-1-ol

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.9952203
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CCO)Cl)Cl

Technology Process of 3-(3,4-Dichlorophenyl)prop-2-en-1-ol

There total 6 articles about 3-(3,4-Dichlorophenyl)prop-2-en-1-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: 67.0%

C12H10Cl2O4 → 3-(3,4-dichlorophenyl) prop-2-en-1-ol (56984-70-4)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 - 45 ℃;

Reference yield:

3-(3,4-dichloro-phenyl)-acrylic acid ethyl ester (40950-94-5) → 3-(3,4-dichlorophenyl) prop-2-en-1-ol (56984-70-4)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran;

DOI:10.1002/anie.201704354

Reference yield:

3,4-dichlorobenzaldehyde (6287-38-3) → 3-(3,4-dichlorophenyl) prop-2-en-1-ol (56984-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile

2: diisobutylaluminium hydride / tetrahydrofuran

With diisobutylaluminium hydride; 1,8-diazabicyclo[5.4.0]undec-7-ene; lithium chloride; In tetrahydrofuran; acetonitrile;

DOI:10.1002/anie.201704354

upstream raw materials:

3,4-dichlorocinnamic acid

3,4-Dichlor-zimtsaeure-methylester

3-(3,4-dichloro-phenyl)-acrylic acid ethyl ester

3,4-dichlorobenzaldehyde

Downstream raw materials:

3,4-Dichlor-cinnamylchlorid

(2S-trans)-[3-(3,4-dichloro-phenyl)-oxiranyl]-methanol

3-(3,4-dichlorophenyl)allyl methyl carbonate

Dimethyl-carbamic acid (E)-3-(3,4-dichloro-phenyl)-allyl ester