Butyl 4'-hydroxy-3'-methoxycinnamate

Base Information

• Chemical Name: Butyl 4'-hydroxy-3'-methoxycinnamate
• CAS No.: 4657-33-4
• Molecular Formula: C14H18 O4
• Molecular Weight: 250.295
• Hs Code.: 2918990090
• European Community (EC) Number: 225-100-3
• ChEMBL ID: CHEMBL2088766
• Nikkaji Number: J297.874A,J729.909E
• Mol file: 4657-33-4.mol

Synonyms:Butyl 4'-hydroxy-3'-methoxycinnamate;4657-33-4;Butyl Ferulate;n-butyl ferulate;EINECS 225-100-3;butyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;CHEMBL2088766;SCHEMBL18993842;JTQRZRRDNZAHMH-SOFGYWHQSA-N;2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, butyl ester

Chemical Property of Butyl 4'-hydroxy-3'-methoxycinnamate

Chemical Property:

• Boiling Point: 377.9°Cat760mmHg
• Flash Point: 137.2°C
• PSA: 55.76000
• Density: 1.125g/cm³
• LogP: 2.75730
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC
• Isomeric SMILES: CCCCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC

Technology Process of Butyl 4'-hydroxy-3'-methoxycinnamate

There total 13 articles about Butyl 4'-hydroxy-3'-methoxycinnamate 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%

→ n-butyl (E)-3-(4-hydroxy-3-methoxyphenyl)propenoate (4657-33-4)

Guidance literature:

Reference yield: 93.0%

(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid (1135-24-6,537-98-4) + butan-1-ol (71-36-3) → n-butyl (E)-3-(4-hydroxy-3-methoxyphenyl)propenoate (4657-33-4)

Guidance literature:

With sulfuric acid; at 128 ℃; for 0.0666667h; under 1034.32 Torr; Microwave irradiation;

DOI:10.3390/molecules14062118

Reference yield: 89.6%

→ 4-hydroxy-3-methoxy butyl cinnamate (4657-33-4)

Guidance literature:

With sulfuric acid; Reflux;

upstream raw materials:

(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

butan-1-ol

(E)-3-(4-Benzyloxy-3-methoxy-phenyl)-acrylic acid butyl ester

3-methoxy-4-(phenylmethoxy)benzaldehyde

Downstream raw materials:

butyl 3-[4-(3,4,5-triacetyloxybenzoyloxy)-3-methoxyphenyl]-2-propenoate