3-(3-Methoxyphenyl)benzaldehyde

Base Information

• Chemical Name: 3-(3-Methoxyphenyl)benzaldehyde
• CAS No.: 126485-58-3
• Molecular Formula: C14H12O2
• Molecular Weight: 212.248
• Hs Code.: 2912499000
• European Community (EC) Number: 673-296-8
• DSSTox Substance ID: DTXSID50374829
• Nikkaji Number: J959.115J
• Wikidata: Q82163395
• Mol file: 126485-58-3.mol

Synonyms:126485-58-3;3-(3-methoxyphenyl)benzaldehyde;3'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde;3'-Methoxybiphenyl-3-carbaldehyde;3'-Methoxy-biphenyl-3-carbaldehyde;3'-methoxy-[1,1'-biphenyl]-3-carboxaldehyde;3'-Methoxy-biphenyl-3-carboxaldehyde;[1,1'-Biphenyl]-3-carboxaldehyde,3'-methoxy-;SCHEMBL2591901;DTXSID50374829;GLGWNAPAIMXRGT-UHFFFAOYSA-N;MFCD03424626;AKOS000303114;PS-7984;BB 0219943;CS-0207497;FT-0643051;3'-methoxy-biphenyl-3-carboxaldehyde, AldrichCPR;A805559;W-205251;3 inverted exclamation marka-Methoxy[1,1 inverted exclamation marka-biphenyl]-3-carboxaldehyde

Chemical Property of 3-(3-Methoxyphenyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 2.11E-05mmHg at 25°C
• Refractive Index: 1.59
• Boiling Point: 361.1 °C at 760 mmHg
• Flash Point: 166.7 °C
• PSA: 26.30000
• Density: 1.114 g/cm³
• LogP: 3.17470
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 212.083729621
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

3''-Methoxybiphenyl-3-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=CC=CC(=C2)C=O
• Uses: 3''-Methoxybiphenyl-3-carboxaldehyde is a reagent used in the preparation of arylsilanes and their applications in cross-coupling reactions.

Technology Process of 3-(3-Methoxyphenyl)benzaldehyde

There total 9 articles about 3-(3-Methoxyphenyl)benzaldehyde 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: 83.0%

m-iodobenzaldehyde (696-41-3) + (difluoro)(3-methoxyphenyl)(n-propyl)silane (126485-53-8) → 3'-methoxy-[1,1'-biphenyl]-3-carboxaldehyde (126485-58-3)

Guidance literature:

With potassium fluoride; bis(η3-allyl-μ-chloropalladium(II)); In N,N-dimethyl-formamide; at 100 ℃; for 15h;

DOI:10.1016/S0040-4020(01)85554-X

Reference yield: 82.0%

m-bromobenzoic aldehyde (3132-99-8) + 3-methoxyphenylboronic acid (10365-98-7,1107579-37-2) → 3'-methoxy-[1,1'-biphenyl]-3-carboxaldehyde (126485-58-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; toluene; for 1h; Heating;

DOI:10.1021/jm031140x

Reference yield: 73.0%

3-methoxyphenyl bromide (2398-37-0) + 3-Formylphenylboronic acid (87199-16-4) → 3'-methoxy-[1,1'-biphenyl]-3-carboxaldehyde (126485-58-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 100 ℃; for 2.5h; Sealed tube; Microwave irradiation;

DOI:10.1039/c5cc06095h

upstream raw materials:

m-iodobenzaldehyde

(difluoro)(3-methoxyphenyl)(n-propyl)silane

3-methoxyphenylboronic acid

m-bromobenzoic aldehyde

Downstream raw materials:

(3'-methoxybiphenyl-3-yl)methanol

Refernces

• 1、 Yun, Yanghwan,Hong, Victor Sukbong,Jeong, Seungik,Choo, Hyeonseong,Kim, Shin,Lee, Jinho. "2-thioxothiazolidin-4-one analogs as pan-pim kinase inhibitors". . p. 854 - 861. Retrieved 2021/09/06.
• 2、 Hunter, Christopher A.,Misuraca, Maria Cristina,Turega, Simon M.. "Dissection of complex molecular recognition interfaces". supporting information; experimental part. p. 582 - 594. Retrieved 2011/04/16.