2-Methyl-2-(Phenylsulfanyl)Propanal

Base Information

• Chemical Name: 2-Methyl-2-(Phenylsulfanyl)Propanal
• CAS No.: 63996-66-7
• Molecular Formula: C10H12 O S
• Molecular Weight: 180.271
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90377672
• Nikkaji Number: J1.844.616B
• Wikidata: Q82166982
• Mol file: 63996-66-7.mol

Synonyms:2-Methyl-2-(Phenylsulfanyl)Propanal;63996-66-7;2-Methyl-2-(phenylthio)propanal;2-methyl-2-phenylsulfanylpropanal;SCHEMBL809474;2-(Phenylthio)-2-methylpropanal;DTXSID90377672;MFCD00243420;AKOS005069528;CS-0315721;FT-0680067;2-methyl-2-(phenylsulfanyl)propanal, AldrichCPR;12K-019;J-509921

Chemical Property of 2-Methyl-2-(Phenylsulfanyl)Propanal

Chemical Property:

• Vapor Pressure: 0.0201mmHg at 25°C
• Boiling Point: 251.8°Cat760mmHg
• Flash Point: 108.5°C
• PSA: 42.37000
• Density: 1.07g/cm³
• LogP: 2.75620
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.06088618
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-2-(phenylsulfanyl)propanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=O)SC1=CC=CC=C1

Technology Process of 2-Methyl-2-(Phenylsulfanyl)Propanal

There total 9 articles about 2-Methyl-2-(Phenylsulfanyl)Propanal 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: 95.0%

1-Methoxy-1-(phenylsulfanyl)-2-methylpropan-2-ol (78614-64-9) → 2-methyl-2-(phenylthio)propanal (63996-66-7)

Guidance literature:

With pyridine; thionyl chloride; at 0 ℃; for 0.5h;

Reference yield: 93.0%

2-methyl-2-phenylthiopropanal tosylhydrazone (84980-55-2) → 2-methyl-2-(phenylthio)propanal (63996-66-7)

Guidance literature:

With boron trifluoride diethyl etherate; In water; acetone; for 96h; Ambient temperature;

Reference yield: 79.0%

2-chloroisobutyraldehyde (917-93-1) + sodium thiophenolate (930-69-8) → 2-methyl-2-(phenylthio)propanal (63996-66-7)

Guidance literature:

In 1,2-dimethoxyethane; for 1h; Ambient temperature;

DOI:10.1055/s-1984-30727

upstream raw materials:

2-methyl-2-phenylsulfanylpropanenitrile

isobutyraldehyde

diphenyldisulfane

2-chloroisobutyraldehyde

Downstream raw materials:

2,6-Dimethyl-2-(phenylthio)-heptan-3-ol

2,3-dimethylbenzothiophene

5-Methyl-5-phenylsulfanyl-hexane-1,4-diol

2-methyl-2-(phenylsulfanyl)-1-propanol