4-Formyl-2-methoxyphenyl benzoate

Base Information

• Chemical Name: 4-Formyl-2-methoxyphenyl benzoate
• CAS No.: 790-16-9
• Molecular Formula: C15H12O4
• Molecular Weight: 256.258
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID50402010
• Nikkaji Number: J1.225.797J
• Wikidata: Q82205354
• Mol file: 790-16-9.mol

Synonyms:4-formyl-2-methoxyphenyl benzoate;790-16-9;(4-formyl-2-methoxyphenyl) benzoate;benzaldehyde,4-(benzoyloxy)-3-methoxy-;4-Benzyloxyvanillin;Oprea1_198601;Oprea1_793174;SCHEMBL8393499;4-formyl-2-methoxyphenylbenzoate;DTXSID50402010;QOIUOGAGPASFII-UHFFFAOYSA-N;BBL008404;MFCD00117877;STK092990;AKOS000290827;VS-01901;CS-0240346;Benzoic acid, 4-formyl-2-methoxyphenyl ester;4-formyl-2-methoxyphenyl benzoate, AldrichCPR;EN300-227946;SR-01000106750;SR-01000106750-1;Z57487446

Chemical Property of 4-Formyl-2-methoxyphenyl benzoate

Chemical Property:

• PSA: 52.60000
• LogP: 2.72690
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 309

Purity/Quality:

98%min ^*data from raw suppliers

4-Formyl-2-methoxyphenyl benzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C=O)OC(=O)C2=CC=CC=C2

Technology Process of 4-Formyl-2-methoxyphenyl benzoate

There total 6 articles about 4-Formyl-2-methoxyphenyl benzoate 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%

vanillin (121-33-5,8014-42-4) + benzoic acid (65-85-0,8013-63-6) → 4-benzoyloxy-3-methoxybenzaldehyde (790-16-9)

Guidance literature:

With iodine; triethylamine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2016.03.105

Reference yield: 92.0%

4-(hydroxymethyl)-2-methoxyphenyl benzoate (174840-51-8) → 4-benzoyloxy-3-methoxybenzaldehyde (790-16-9)

Guidance literature:

With laccase; 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt; In tetrahydrofuran; water; at 40 ℃; for 24h;

DOI:10.1080/00397919608003620

Reference yield: 92.0%

C15H13NO4 (393125-26-3) → 4-benzoyloxy-3-methoxybenzaldehyde (790-16-9)

Guidance literature:

With copper(II) choride dihydrate; water; In acetonitrile; at 75 ℃; for 1h;

DOI:10.1055/s-0030-1259730

upstream raw materials:

benzoyl chloride

vanillin

4-(hydroxymethyl)-2-methoxyphenyl benzoate

benzaldehyde

Downstream raw materials:

2-methoxy-4-[(E)-{[2-(2-methyl-1H-pyrrol-1-yl)ethyl]imino}methyl]phenyl benzoate

methyl (E,S)-2-(4-benzoyloxy-3-methoxybenzylideneamino)-3-methylbutyrate

(E)-4-(3,4-dimethoxystyryl)-2-methoxyphenol

Refernces

• 1、 Metwally, Nadia Hanafy,Mohamed, Mona Said. "New imidazolone derivatives comprising a benzoate or sulfonamide moiety as anti-inflammatory and antibacterial inhibitors: Design, synthesis, selective COX-2, DHFR and molecular-modeling study". . . Retrieved 2019/12/12.
• 2、 Mukhtar, Asma,Zaheer, Muhammad,Saeed, Muhammad,Voelter, Wolfgang. "Synthesis of lignin model compound containing a β-O-4 linkage". . p. 119 - 124. Retrieved 2017/12/26.