1679-64-7

Basic information

• Product Name: mono-Methyl terephthalate
• Synonyms: Mono-Methyl tetraphthalate;MonoMethyl Terephthalate , 98.0%(GC&T;mono-Methyl terephthalate 97%;mono-Methyl terephthalate≥ 99%(GC);mono-Methyleterephthalate;(4-carboxyphenyl)-aceticaci;4-(carbomethoxy)benzoicacid;Hydrogen methyl terephthalate
• CAS NO: 1679-64-7
• Molecular Formula: C₉H₈O₄
• Molecular Weight: 180.16
• EINECS: 216-849-7
• Product Categories: Aromatic Esters;Phthalic Acids, Esters and Derivatives;Carboxylic Acids;Phenyls & Phenyl-Het;Heterocyclic Compounds;Carboxylic Acids;Phenyls & Phenyl-Het;C8 to C9;Carbonyl Compounds;Esters
• Mol File: 1679-64-7.mol
• Article Data: 131

Chemical Properties

• Melting Point: 220-223 °C(lit.)
• Boiling Point: 232.96°C (rough estimate)
• Flash Point: 136 °C
• Appearance: White to off-white/Powder
• Density: 1.1987 (rough estimate)
• Vapor Pressure: 6.13E-05mmHg at 25°C
• Refractive Index: 1.4209 (estimate)
• Storage Temp.: Store below +30°C.
• Solubility: chloroform/methanol: soluble50mg/mL, clear, colorless (1:1)
• PKA: 3.77±0.10(Predicted)
• Water Solubility: Slightly soluble in water. Also soluble in methanol, benzene and ether.
• BRN: 1911082
• CAS DataBase Reference: mono-Methyl terephthalate(CAS DataBase Reference)
• NIST Chemistry Reference: mono-Methyl terephthalate(1679-64-7)
• EPA Substance Registry System: mono-Methyl terephthalate(1679-64-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• TSCA: Yes
• HazardClass: IRRITANT
• Hazardous Substances Data: 1679-64-7(Hazardous Substances Data)

Usage

Description

The mono-methyl terephthalate is a kind of phthalate ester. It can be obtained during the hydrolytical transformation process of dimethyl terephthalate (DMT) by some microbes such as Rhodococcus rubber and Pasteurella multocida. It is also the intermediate during the manufacturing of dimethyl terephthalate, terephthalic acid and some other derivatives. As the ester form of terephthalate, it is widely used for the manufacturing of plastics, paints, synthetic fibers and polyester.

References

Schoengen, Anton, Georg Schreiber, and Heinz Schroeder. U.S. Patent No. 4,302,595. 24 Nov. 1981. Li, Jiaxi, Ji-Dong Gu, and Li Pan. International Biodeterioration & Biodegradation 55.3 (2005): 223-232. Li, Jiaxi, Ji-Dong Gu, and Jun-hua Yao. International Biodeterioration & Biodegradation 56.3 (2005): 158-165.

Chemical Properties

white to off-white powder

Uses

mono-Methyl Terephthalate is used in the synthesis of Hepatits C antiviral activity. Also used in the design and preparation of benzamide derivatives as BRAFV600E inhibitors, which if mutated, can influence malignancies and melanomas.

InChI:InChI=1/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)/p-1

Upstream product

• 120-61-6 1,4-benzenedicarboxylic acid dimethyl ester 
• 1571-08-0 methyl 4-formylbenzoate 
• 186581-53-3 diazomethane 
• 100-21-0 terephthalic acid 
• 4637-24-5 N,N-dimethyl-formamide dimethyl acetal 
• 77-78-1 dimethyl sulfate 
• 1129-35-7 4-cyanobenzoic acid methyl ester 
• 99-75-2 4-methyl-benzoic acid methyl ester 
• 905966-40-7 methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate 
• 124-38-9 carbon dioxide 
• 6908-41-4 4-(methoxycarbonyl)benzyl alcohol 
• 7364-20-7 4-ethyl-benzoic acid methyl ester 
• 67-56-1 methanol 
• 619-66-9 4-Carboxybenzaldehyde 

Downstream Products

• 6757-31-9 methyl-4-carbamoylbenzoate 
• 7377-26-6 4-Methoxycarbonylbenzoyl chloride 
• 120-61-6 1,4-benzenedicarboxylic acid dimethyl ester 
• 137042-68-3 C₁₀H₁₀BrNO₃ 
• 100-21-0 terephthalic acid 
• 3006-96-0 3-hydroxymethyl-benzoic acid 
• 10028-70-3 disodium terephthalate 
• 142165-77-3 N-((S)-4-Benzyloxycarbonylamino-4-methoxycarbonyl-butyl)-terephthalamic acid methyl ester 
• 2003-84-1 2-Phenyl-5-(4-carbamoyl-phenyl)-1,3,4-oxadiazol 
• 1053617-04-1 N-(4-{4-[2-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-4-methoxycarbonyl-butyl)-terephthalamic acid methyl ester 
• 64141-11-3 (4-(methoxycarbonyl)phenyl)(4-methylphenyl)methanone 
• 857941-07-2 N¹-(4-carbomethoxy)benzoyl-N⁴,N⁹,N¹²-tris(tert-butoxycarbonyl)spermine 
• 212380-02-4 4-(methoxycarbonyl)-N-[(2,2-dimethylcyclopentyl)methyl]benzamide 
• 896730-91-9 methyl 4-(N-2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyl-carbamoyl)benzoate 

Relevant articles and documents

Carboxyl Methyltransferase Catalysed Formation of Mono- and Dimethyl Esters under Aqueous Conditions: Application in Cascade Biocatalysis

Carboxyl methyltransferase (CMT) enzymes catalyse the biomethylation of carboxylic acids under aqueous conditions and have potential for use in synthetic enzyme cascades. Herein we report that the enzyme FtpM from Aspergillus fumigatus can methylate a broad range of aromatic mono- and dicarboxylic acids in good to excellent conversions. The enzyme shows high regioselectivity on its natural substrate fumaryl-l-tyrosine, trans, trans-muconic acid and a number of the dicarboxylic acids tested. Dicarboxylic acids are generally better substrates than monocarboxylic acids, although some substituents are able to compensate for the absence of a second acid group. For dicarboxylic acids, the second methylation shows strong pH dependency with an optimum at pH 5.5–6. Potential for application in industrial biotechnology was demonstrated in a cascade for the production of a bioplastics precursor (FDME) from bioderived 5-hydroxymethylfurfural (HMF).

Method for preparing methyl 4-cyanobenzoate and method for preparing 4-cyanobenzoic acid

The invention relates to the field of synthesis, and discloses a method for preparing methyl 4-cyanobenzoate and a method for preparing 4-cyanobenzoic acid. The method for preparing methyl 4-cyanobenzoate comprises the following steps: (1) in the presence of a first alkaline substance, carrying out a first hydrolysis reaction on dimethyl terephthalate to obtain monomethyl terephthalate; (2) subjecting the monomethyl terephthalate to a contact reaction with a chlorination reagent and ammonia water in sequence so as to obtain methyl 4-carbamoylbenzoate; and (3) carrying out a dehydration reaction on the methyl 4-carbamoylbenzoate to obtain the methyl 4-cyanobenzoate. According to the method for preparing the methyl 4-cyanobenzoate and the method for preparing the 4-cyanobenzoic acid, reaction raw materials are cheap and easy to obtain, and the target compounds can be efficiently prepared in an environment-friendly mode through the processes of hydrolysis, ammoniation, dehydration, optional selection and further hydrolysis.

PREPARATION OF AROMATIC CARBONYL COMPOUNDS BY CATALYTIC OXIDATION WITH MOLECULAR OXYGEN

The present invention relates to a process for the preparation of aromatic carbonyl compounds of formula I, which can be obtained through reaction of compounds of formula II with molecular oxygen in the presence of a solvent and a catalyst, which is composed of a cobalt(II) salt and N,N',N''-trihydroxyisocyanuric acid (THICA).