54132-75-1

Basic information

• Product Name: 3,5-DIMETHYLPHENYL ISOCYANATE
• Synonyms: 3,5-DIMETHYLPHENYL ISOCYANATE;ISOCYANIC ACID 3,5-DIMETHYLPHENYL ESTER;1-Isocyanato-3,5-dimethylbenzene;Benzene, 1-isocyanato-3,5-dimethyl-;3,5-xylyl isocyanate;3,5-DIMETHYLPHENYL ISOCYANATE: 98.5%;3,5-DIMETHYLPHENYL ISOCYANATE 99%;3,5-Dimethylphenyl isocyanate,99%
• CAS NO: 54132-75-1
• Molecular Formula: C₉H₉NO
• Molecular Weight: 147.17
• EINECS: 258-987-0
• Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 54132-75-1.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 75 °C (5 mmHg)
• Flash Point: 183 °F
• Appearance: clear light yellow liquid
• Density: 1.045 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.2 psi ( 20 °C)
• Refractive Index: n20/D 1.528(lit.)
• Storage Temp.: 0-6°C
• Water Solubility: Hydrolyzes in water.
• Sensitive: Moisture Sensitive
• BRN: 774958
• CAS DataBase Reference: 3,5-DIMETHYLPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DIMETHYLPHENYL ISOCYANATE(54132-75-1)
• EPA Substance Registry System: 3,5-DIMETHYLPHENYL ISOCYANATE(54132-75-1)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-27-28-37/39
• RIDADR: UN 2206 6.1/PG 3
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 54132-75-1(Hazardous Substances Data)

Usage

Chemical Properties

Clear light yellow liquid

Uses

3,5-Dimethylphenyl isocyanate is applications include linking with oligosaccharides and cyclodextrins for chiral chromatography stationary phases.

InChI:InChI=1/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3

Upstream product

• 108-69-0 3,5-dimethylaminoaniline 
• 503-38-8 trichloromethyl chloroformate 
• 75-44-5 phosgene 
• 203321-89-5 (3,5-dimethylphenyl)carbamic acid 1,1-dimethylethyl ester 
• 864269-47-6 [((CH(C(Me)N-2,4,6-Me₃C₆H₂)₂)Ni)₂(μ-CO)₂] 
• 70334-59-7 1-azido-3,5-dimethylbenzene 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 590-28-3 potassium cyanate 

Downstream Products

• 99841-16-4 N'-(3,5-dimethyl-phenyl)-N-formyl-N-methyl-urea 
• 64392-97-8 1-cyclopropyl-3-(3,5-dimethylphenyl)urea 
• 28395-91-7 (3,5-Dimethyl-phenyl)-carbamic acid 5-chloro-2-(2,4-dichloro-phenoxy)-phenyl ester 
• 38021-40-8 (3,5-Dimethyl-phenyl)-carbamic acid 3-methylsulfanylcarbonylamino-phenyl ester 
• 119872-21-8 1-(3,5-Dimethyl-phenyl)-3-[2-(3,5-dimethyl-phenyl)-3-oxo-2,3-dihydro-[1,2,4]thiadiazol-5-yl]-urea 
• 132314-20-6 3,5-dimethylphenylcarbamate of cellotetraose 
• 88451-14-3 1-Benzyl-1-butyl-3-(3,5-dimethyl-phenyl)-urea 
• 132314-20-6 C₁₅₀H₁₆₈N₁₄O₃₅ 
• 86353-59-5 (3,5-Dimethyl-phenyl)-carbamic acid 1-methyl-1-(4,4,6-trimethyl-5,6-dihydro-4H-[1,3]oxazin-2-yl)-ethyl ester 
• 251091-76-6 3-(3,5-dimethylphenyl)carbamoyl-N-allyl-deoxycholan-24-amide 
• 251091-78-8 3,12-bis-(3,5-dimethylphenyl)carbamoyl-N-allyl-deoxycholan-24-amide 
• 242148-28-3 3',5'-dimethylphenyl-ureido-(Phe-D-Leu)₂-Phe-OMe 
• 251091-81-3 3-(3,5-dichlorophenyl)carbamoyl-12-(3,5-dimethylphenyl)carbamoyl-N-allyl-deoxycholan-24-amide 
• 403607-15-8 N-allyl-N'-methyl-3α-N-(3,5-dimethylbenzoyl)amino-12α-(3,5-dimethylphenyl)carbamoyloxy-5β-cholan-24-amide 

Relevant articles and documents

Practical one-pot amidation of N -Alloc-, N -Boc-, and N -Cbz protected amines under mild conditions

A facile one-pot synthesis of amides from N-Alloc-, N-Boc-, and N-Cbz-protected amines has been described. The reactions involve the use of isocyanate intermediates, which are generated in situ in the presence of 2-chloropyridine and trifluoromethanesulfonyl anhydride, to react with Grignard reagents to produce the corresponding amides. Using this reaction protocol, a variety of N-Alloc-, N-Boc-, and N-Cbz-protected aliphatic amines and aryl amines were efficiently converted to amides with high yields. This method is highly effective for the synthesis of amides and offers a promising approach for facile amidation.

Synthesis and nematicidal activity of piperazinedione derivatives based on the natural product Barettin

Nematodes are serious constraints of crop production worldwide. However, the traditional nematicides suffer from the side-effects, including environmental and human toxicity. Herein, more than 70 novel piperazinedione derivatives based on the natural product Barettin were synthesized and evaluated against the root-knot nematode Meloidogyne incognita (M. incognita). While most of synthesized compounds exhibited certain nematicidal activity at high concentration, the best one showed a nematicidal activity of 75% at 2.4 μmol/L.

Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates

The first C-H aminocarbonylation of azobenzenes with isocyanates is achieved by using rhenium-catalysis, which provides an expedient and atom-economical access to varied o-azobenzamides from readily available starting materials. The reaction efficiency can be enhanced by the catalytic use of sodium acetate via accelerated C-H bond activation.