2-(Phenylsulfonylmethyl)benzaldehyde

Base Information

• Chemical Name: 2-(Phenylsulfonylmethyl)benzaldehyde
• CAS No.: 468751-38-4
• Molecular Formula: C14H12O3S
• Molecular Weight: 260.313
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID10463081
• Nikkaji Number: J1.746.811A
• Wikidata: Q72498806
• Mol file: 468751-38-4.mol

Synonyms:2-(Phenylsulfonylmethyl)benzaldehyde;468751-38-4;2-(benzenesulfonylmethyl)benzaldehyde;2-((Phenylsulfonyl)methyl)benzaldehyde;MFCD06797157;2-[(Phenylsulfonyl)methyl]benzaldehyde;Benzaldehyde,2-[(phenylsulfonyl)methyl]-;2-Formylbenzyl Phenyl Sulfone;YSZC361;SCHEMBL1199797;DTXSID10463081;AKOS015840650;2-[(benzenesulfonyl)methyl]benzaldehyde;AS-63630;SY052864;CS-0060566;FT-0644708;P1455;W17917;A827110;2-[(Phenylsulfonyl)methyl]benzaldehyde, AldrichCPR

Chemical Property of 2-(Phenylsulfonylmethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 2.11E-09mmHg at 25°C
• Melting Point: 141.0 to 145.0 °C
• Refractive Index: 1.602
• Boiling Point: 480.8 °C at 760 mmHg
• Flash Point: 313.3 °C
• PSA: 59.59000
• Density: 1.278 g/cm³
• LogP: 3.55380
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 260.05071541
• Heavy Atom Count: 18
• Complexity: 363

Purity/Quality:

98% ^*data from raw suppliers

2-(Phenylsulfonylmethyl)benzaldehyde >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2C=O

Technology Process of 2-(Phenylsulfonylmethyl)benzaldehyde

There total 11 articles about 2-(Phenylsulfonylmethyl)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: 78.0%

ortho-(phenylsulfonylmethyl)benzonitrile (82651-72-7) → ortho-(phenylsulfonylmethyl)benzaldehyde (468751-38-4)

Guidance literature:

With diisobutylaluminium hydride; In hexane; dichloromethane; at -78 ℃; for 2h;

DOI:10.1002/1521-3765(20020503)8:9<2000::AID-CHEM2000>3.0.CO;2-B

Reference yield:

C14H14O3S (911836-71-0) → ortho-(phenylsulfonylmethyl)benzaldehyde (468751-38-4)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1055/s-2006-942468

Reference yield:

2-(bromomethyl)benzonitrile (22115-41-9) → ortho-(phenylsulfonylmethyl)benzaldehyde (468751-38-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / dimethylformamide / 2 h / 80 °C

2: 78 percent / DIBAL-H / CH₂Cl₂; hexane / 2 h / -78 °C

With diisobutylaluminium hydride; In hexane; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/1521-3765(20020503)8:9<2000::AID-CHEM2000>3.0.CO;2-B

upstream raw materials:

ortho-(phenylsulfonylmethyl)benzonitrile

C₁₄H₁₄O₃S

methyl 2-bromomethylbenzoate

2-Methyl-benzoic acid methyl ester

Downstream raw materials:

2-(2-benzenesulfonylmethyl-phenyl)-[1,3]dioxolane

sym-dibenzo-1,5-cyclooctadiene-3,7-diyne

5,11-bis-benzenesulfonyl-dibenzo[a,e]cyclooctene

12H-dibenzo[b,h]fluoren-12-one