55696-50-9

Basic information

• Product Name: Benzoic acid, 4-cyano-, 1,1-diMethylethyl ester
• Synonyms: Benzoic acid, 4-cyano-, 1,1-diMethylethyl ester;TERT-BUTYL 4-CYANOBENZOATE
• CAS NO: 55696-50-9
• Molecular Formula: C₁₂H₁₃NO₂
• Molecular Weight: 203.23712
• EINECS: -0
• Mol File: 55696-50-9.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 315.5°Cat760mmHg
• Flash Point: 147.3°C
• Appearance: /
• Density: 1.09g/cm³
• Vapor Pressure: 0.000436mmHg at 25°C
• Refractive Index: 1.518
• CAS DataBase Reference: Benzoic acid, 4-cyano-, 1,1-diMethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-cyano-, 1,1-diMethylethyl ester(55696-50-9)
• EPA Substance Registry System: Benzoic acid, 4-cyano-, 1,1-diMethylethyl ester(55696-50-9)

Safety Data

• Hazardous Substances Data: 55696-50-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H13NO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3

Upstream product

• 540-88-5 acetic acid tert-butyl ester 
• 1129-35-7 4-cyanobenzoic acid methyl ester 
• 6068-72-0 4-cyanobenzoyl chlorIde 
• 75-65-0 tert-butyl alcohol 
• 105-07-7 4-cyanobenzaldehyde 
• 619-65-8 4-cyanobenzoic Acid 
• 36805-97-7 N,N-dimethylformamide di-tert-butyl acetal 
• 24424-99-5 di-tert-butyl dicarbonate 
• 126747-14-6 4-cyanophenylboronic acid 
• 171364-82-2 4-cyanophenylboronic acid pinacol ester 
• 201230-82-2 carbon monoxide 
• 623-00-7 4-bromobenzenecarbonitrile 
• 865-48-5 sodium t-butanolate 
• 115-11-7 isobutene 

Downstream Products

• 1259945-99-7 N-{4-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]benzoyl}-leucyl-glycine-nitrile 
• 1259946-00-3 N-{4-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]benzoyl}-N-methylleucyl-glycine-nitrile 
• 1259947-22-2 N-{4-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]benzoyl}-leucine 1,2-dimethylhydrazide 
• 1259947-24-4 N-{4-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]benzoyl}-N-methylleucine 1,2-dimethylhydrazide 
• 1259946-02-5 N-{4-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]benzoyl}-leucyl-methylazaalanine-nitrile 
• 1259946-06-9 N-{4-[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]benzoyl}-N-methylleucyl-methylazaalanine-nitrile 
• 184576-27-0 C₁₂H₁₆N₂O₃ 
• 1259946-96-7 4-[(2-thiophenecarbonyl)oxyamidino]benzoic acid tert-butyl ester 
• 1259946-99-0 4-[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid 
• 1605325-12-9 4-(tert-butoxycarbonylamino-dideutero-methyl)-benzoic acid tert-butyl ester 
• 1307310-12-8 C₁₂H₁₅NO₃ 
• 261789-05-3 4-chloro-1,8-naphthalic anhydride tert-butyl methyl benzoate 
• 107045-28-3 4-(aminomethyl)benzoic acid tert-butyl ester 
• 1332925-73-1 C₁₂H₁₁ClN₂O₄S 

Relevant articles and documents

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The invention discloses a preparation method of an aromatic ring/aromatic heterocycle tert-butyl alcohol ester compound. The preparation method of the aromatic ring/aromatic heterocycle tert-butyl alcohol ester compound comprises the following steps of: firstly, under stirring condition, adding aromatic heterocycle borate compound or aromatic ring boric acid compound and di-tert-butyl dicarbonate ester into a solvent, and then adding a palladium catalyst and a ligand, so that a mixture A is obtained; secondly, heating the mixture A for carrying out reaction, and then cooling to room temperature, so that a mixture B is obtained; thirdly, diluting the mixture B with ethyl acetate, then filtering the diluted mixture B with diatomite, collecting filtrate, concentrating, and carrying out spin drying, so that the aromatic ring/aromatic heterocycle tert-butyl alcohol ester compound is obtained. The preparation method of the aromatic ring/aromatic heterocycle tert-butyl alcohol ester compound has the advantages that alkoxycarbonylation reaction on an aromatic heterocycle borate compound or aromatic ring boric acid compound is realized, and the aromatic ring/aromatic heterocycle tert-butyl alcohol ester compound is directly generated; raw materials are non-toxic, inexpensive and available; a catalytic system is low in cost and has good stability and broad applicability; reaction conditions are mild, safety is high, and control is easy; a technology is simple, operation is easy, environmental friendliness is realized, and specificity is strong, so that the preparation method of the aromatic ring/aromatic heterocycle tert-butyl alcohol ester compound is applicable to industrialized production.