156001-68-2

Basic information

• Product Name: methyl 3-cyano-4-hydroxybenzoate
• Synonyms: methyl 3-cyano-4-hydroxybenzoate;3-Cyano-4-hydroxybenzoic acid methyl ester
• CAS NO: 156001-68-2
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.158
• Mol File: 156001-68-2.mol

Chemical Properties

• Melting Point: 167-168 °C(Solv: methanol (67-56-1); water (7732-18-5))
• Boiling Point: 336.305 °C at 760 mmHg
• Flash Point: 157.192 °C
• Appearance: /
• Density: 1.328 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.573
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 5.56±0.18(Predicted)
• CAS DataBase Reference: methyl 3-cyano-4-hydroxybenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 3-cyano-4-hydroxybenzoate(156001-68-2)
• EPA Substance Registry System: methyl 3-cyano-4-hydroxybenzoate(156001-68-2)

Safety Data

• Hazardous Substances Data: 156001-68-2(Hazardous Substances Data)

Usage

Uses

Used in Chemical Research:
Methyl 3-cyano-4-hydroxybenzoate is used as a research compound for its unique chemical structure, which may be of interest in the study of aromatic esters and their potential interactions with other molecules.
Used in Pharmaceutical Industry:
Methyl 3-cyano-4-hydroxybenzoate is used as a synthetic intermediate for the production of more complex molecules, potentially including pharmaceuticals. Its specific functional groups may be utilized in the development of new drugs or drug candidates.
Used in Material Science:
Methyl 3-cyano-4-hydroxybenzoate is used as a precursor in the synthesis of advanced materials, such as polymers or composites, where its aromatic and functional groups can contribute to the desired properties of the final product.

InChI:InChI=1/C9H7NO3/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4,11H,1H3

Upstream product

• 773837-37-9 sodium cyanide 
• 15126-06-4 methyl 3-iodo-4-hydroxybenzoate 
• 544-92-3 copper(I) cyanide 
• 584-87-2 3-formyl-4-hydroxybenzoic acid 
• 557-21-1 zinc(II) cyanide 
• 29415-97-2 methyl 3-bromo-4-hydroxybenzoate 
• 143-33-9 sodium cyanide 
• 24589-99-9 methyl 3-formyl-4-hydroxybenzoate 
• 99-76-3 methyl 4-hydroxylbenzoate 

Downstream Products

• 1192829-78-9 methyl 3-cyano-4-(cyclopropylmethoxy)benzoate 
• 25978-74-9 3-Cyano-4-methoxy-benzoic acid methyl ester 
• 1306760-86-0 5-(3-{(1S)-1-[(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-4-yl}-1,2,4-oxadiazol-5-yl)-2-[(propan-2-yl)oxy]benzonitrile 
• 1312035-13-4 4-[5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-(methyloxy)-1H-indazol-1-yl]butanoic acid 
• 1312009-60-1 4-[5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-ethyl-1H-indazol-1-yl]butanoic acid 
• 1312009-58-7 4-[5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-methyl-1H-indazol-1-yl]butanoic acid 
• 1312009-57-6 4-[6-chloro-5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indazol-1-yl]butanoic acid 
• 1312009-30-5 5-[3-(1H-indazol-4-yl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile 
• 1312009-26-9 ethyl 4-[5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-6-(methyloxy)-1H-indazol-1-yl]butanoate 

Relevant articles and documents

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OXADIAZOLE MODULATORS OF S1P METHODS OF MAKING AND USING

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Preparation method of 3-cyano-4-isopropoxy methyl benzoate

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The invention discloses a method for preparing 3-cyano-4-isopropoxybenzoic acid. A first step, 3-formyl-4-methyl hydroxybenzoate is prepared with methyl parahydroxybenzoate; a second step, 3-cyano-4-methyl hydroxybenzoate is prepared with the 3-formyl-4-methyl hydroxybenzoate; a third step, 3-cyano-4-methyl isopropoxybenzoate is prepared with the 3-cyano-4-methyl hydroxybenzoate; a fourth step, the 3-cyano-4-isopropoxybenzoic acid is prepared with the 3-cyano-4-methyl isopropoxybenzoate. The preparation method of the 3-cyano-4-isopropoxybenzoic acid, which is provided by the invention, has the advantages that 1) the use of the cuprous cyanide of hypertoxic cyanide in a previous process is avoided, and the method is more suitable for industrialization; 2) cyano is prepared by formyl, and the method is high-efficiency and direct, and is suitable for quantity production; 3) all raw materials are cheap and easily obtained, and the cost advantage is obvious.

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