1139901-87-3

Basic information

• Product Name: 5-iodo-2-isobutoxy-benzonitrile
• Synonyms: 5-iodo-2-isobutoxy-benzonitrile
• CAS NO: 1139901-87-3
• Molecular Weight: 301.127
• Mol File: 1139901-87-3.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 348.3±32.0 °C(Predicted)
• Density: 1.56±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 5-iodo-2-isobutoxy-benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 5-iodo-2-isobutoxy-benzonitrile(1139901-87-3)
• EPA Substance Registry System: 5-iodo-2-isobutoxy-benzonitrile(1139901-87-3)

Safety Data

• Hazardous Substances Data: 1139901-87-3(Hazardous Substances Data)

Upstream product

• 876918-26-2 5-bromo-2-isobutoxy-benzonitrile 
• 40530-18-5 5-bromo-2-hydroxybenzonitrile 
• 4885-02-3 Dichloromethyl methyl ether 
• 1304385-08-7 4-iodophenyl isobutyl ether 
• 351003-36-6 2-fluoro-5-iodobenzonitrile 
• 78-83-1 2-methyl-propan-1-ol 

Downstream Products

• 1139901-88-4 tert-butyl 2-(3’-cyano-4’-isobutoxyphenyl)-4-methylthiazole-5-carboxylate 
• 206884-89-1 ethyl 1-(3'-cyano-4'-isobutoxyphenyl)-pyrazol-4-carboxylate 
• 160844-75-7 2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester 
• 144060-53-7 febuxostat 

Relevant articles and documents

Nickel-catalyzed biaryl coupling of heteroarenes and aryl halides/triflates

Ni-based catalytic systems for the arylation of heteroarenes with aryl halides and triflates have been established. Ni(OAc)2/bipy is a general catalyst for aryl bromides/iodides, and Ni(OAc)2/dppf is effective for aryl chlorides/triflates. Thiazole, benzothiazole, oxazole, benzoxazole, and benzimidazole are applicable as heteroarene coupling partners. A rapid synthesis of febuxostat, a drug for gout and hyperuricemia, is also demonstrated.

A 2- aryl residue nitrile method for the preparation of thiazole derivatives

The invention discloses a novel intermediate (II) and a method for preparing a 2-arylnitrile-thiazole derivative (I) by a coupling reaction of the novel intermediate (II) and a compound shown in the formula (III). In the formulas, X represents Cl, Br or I, Y represents F, Cl, Br, I, N2, -OSO2Ra, -OCORa or -OSi(Ra)3, R1 represents C1-6 alkyl or C6-10 aryl, Ra represents C1-6 alkyl or C6-10 aryl, and the C1-6 alkyl or C6-10 aryl is independently and optionally replaced. The preparation method has the advantages of mild technical conditions, less impurities, simple processes, safety and controllability and low energy consumption and is especially suitable for industrial production. The invention also discloses a method for preparing the novel intermediate shown in the formula (II). The preparation method utilizes cheap materials, is free of separation purification and greatly reduces a reaction cost.

PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST

A process for efficiently producing, through few steps either a xanthine oxidase inhibitor, which is a therapeutic agent for hyperuricemia, or an intermediate therefore. The process is a novel coupling process which comprises subjecting a compound represented by formula (1) to coupling reaction with a compound represented by formula (2) in the presence of a transition metal compound to thereby obtain a compound represented by formula (3).