(2E)-3-(3,4-dimethoxyphenyl)acryloyl chloride

Base Information

• Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)acryloyl chloride
• CAS No.: 39856-08-1
• Molecular Formula: C11H11ClO3
• Molecular Weight: 226.66
• Hs Code.: 2918990090
• European Community (EC) Number: 882-690-0
• Nikkaji Number: J2.053.230K
• Mol file: 39856-08-1.mol

Synonyms:39856-08-1;(2E)-3-(3,4-dimethoxyphenyl)acryloyl chloride;3,4-Dimethoxycinnamoyl chloride;141236-46-6;3-(3,4-dimethoxyphenyl)acryloyl chloride;(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl Chloride;(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl chloride;(E)-3-(3,4-dimethoxyphenyl)acryloyl chloride;3-(3,4-dimethoxyphenyl)prop-2-enoyl chloride;3,4-dimethoxycinnamoylchloride;SCHEMBL1589618;SCHEMBL1589619;HGDZRSNJGRIAKS-GQCTYLIASA-N;MFCD03840777;AKOS005173209;(E)-3-(3,4-dimethoxyphenyl)acryloylchloride;D94942;EN300-239801;F2190-0090

Chemical Property of (2E)-3-(3,4-dimethoxyphenyl)acryloyl chloride

Chemical Property:

• Vapor Pressure: 6.37E-05mmHg at 25°C
• Melting Point: 80-82 °C
• Boiling Point: 344.9°C at 760 mmHg
• Flash Point: 145.4°C
• PSA: 35.53000
• Density: 1.212g/cm³
• LogP: 2.48240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 226.0396719
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

99%, ^*data from raw suppliers

(2E)-3-(3,4-Dimethoxyphenyl)acryloylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C=CC(=O)Cl)OC
• Isomeric SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)Cl)OC

Technology Process of (2E)-3-(3,4-dimethoxyphenyl)acryloyl chloride

There total 11 articles about (2E)-3-(3,4-dimethoxyphenyl)acryloyl chloride 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%

3,4-dimethoxy-trans-cinnamic acid (14737-89-4) → (E)-3,4-dimethoxycinnamic chloride (39856-08-1,141236-46-6)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

Reference yield: 50.0%

3,4-dimethoxycinnamic acid (2316-26-9) → 3,4-dimethoxy-cinnamoyl chloride (39856-08-1)

Guidance literature:

With thionyl chloride; at 90 ℃; for 2h;

DOI:10.1002/ejoc.201301657 DOI:10.1002/ejoc.201301657

Reference yield:

3,4-dimethoxy-trans-cinnamic acid (14737-89-4) → 3,4-dimethoxy-cinnamoyl chloride (39856-08-1)

Guidance literature:

With pyridine; thionyl chloride;

upstream raw materials:

3,4-dimethoxycinnamic acid

3,4-dimethoxy-benzaldehyde

3,4-dimethoxy-trans-cinnamic acid

caffeic acid

Downstream raw materials:

3,4-dimethoxy-trans-cinnamic acid-(2-diethylamino-ethyl ester)

(E)-3-(3,4-dimethoxyphenyl)acrylic acid tert-butyl ester

(2E)-N-4-Aminobutyl-3-(3',4'-dimethoxyphenyl)prop-2-enamide

(E)-3-(3,4-Dimethoxy-phenyl)-acrylic acid 2-methyl-quinolin-8-yl ester

Refernces

• 1、 Alzuet-Pi?a, Gloria,Escolano, Marcos,Sánchez-Roselló, María,Torres, Javier,del Pozo, Carlos. "Double asymmetric intramolecular aza-Michael reaction: a convenient strategy for the synthesis of quinolizidine alkaloids". supporting information. p. 8740 - 8745. Retrieved 2021/10/22.
• 2、 Baruch, Yifat,Gopas, Jacob,Kadosh, Yael,Kumar, Rajendran Saravana,Kushmaro, Ariel,Muthuraman, Subramani,Yaniv, Karin. "Quorum sensing and nf-κb inhibition of synthetic coumaperine derivatives from piper nigrum". supporting information. . Retrieved 2021/05/28.