51513-29-2

Basic information

• Product Name: METHYL CARBAMOYLACETATE
• Synonyms: Methylmalonamate,98%;malonic acid monomethyl ester monoamide;Methyl 3-aMino-3-oxopropanoate;3-Amino-3-oxo-propanoic acid methyl ester;PROPANOIC ACID, 3-AMINO-3-OXO-, METHYL ESTER;METHYL CARBAMOYLACETATE;METHYL MALONAMATE;METHYL MALONATE MONOAMIDE
• CAS NO: 51513-29-2
• Molecular Formula: C₄H₇NO₃
• Molecular Weight: 117.1
• Mol File: 51513-29-2.mol
• Article Data: 6

Chemical Properties

• Melting Point: 39-44 °C
• Boiling Point: 263.7 °C at 760 mmHg
• Flash Point: 161.2 °C
• Appearance: /
• Density: 1.184 g/cm³
• Vapor Pressure: 0.0101mmHg at 25°C
• Refractive Index: 1.437
• PKA: 13.51±0.46(Predicted)
• BRN: 2237801
• CAS DataBase Reference: METHYL CARBAMOYLACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL CARBAMOYLACETATE(51513-29-2)
• EPA Substance Registry System: METHYL CARBAMOYLACETATE(51513-29-2)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• Hazardous Substances Data: 51513-29-2(Hazardous Substances Data)

Usage

General Description

Methyl carbamoylacetate is a chemical compound with the formula C4H7NO3. It is a colorless liquid with a fruity odor and is commonly used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. Methyl carbamoylacetate is also used in the production of pesticides and other organic compounds. It is a derivative of carbamic acid and is known for its ability to undergo various chemical reactions, making it a versatile building block for the synthesis of many different compounds. Additionally, it is considered to be relatively stable and safe to handle, making it a valuable compound in the field of organic chemistry.

InChI:InChI=1/C4H7NO3/c1-8-4(7)2-3(5)6/h2H2,1H3,(H2,5,6)

Upstream product

• 105-34-0 methyl 2-cyanoacetate 
• 64-17-5 ethanol 
• 687-00-3 methyl 4,4,4-trichloroacetoacetate 
• 67-56-1 methanol 
• 119-61-9 benzophenone 
• 108-94-1 cyclohexanone 
• 104-87-0 4-methyl-benzaldehyde 
• 104-88-1 4-chlorobenzaldehyde 
• 99-91-2 para-chloroacetophenone 
• 3196-73-4 methyl 3-aminopropanoate hydrochloride 
• 814-49-3 diethyl chlorophosphate 
• 78-93-3 butanone 
• 100-19-6 (4-nitrophenyl)ethanone 
• 98-86-2 acetophenone 

Downstream Products

• 1004-40-6 6-Amino-2-thiouracil 
• 59832-62-1 methyl 2-carbamoyl-3-phenylacrylate 
• 308815-50-1 methyl 4-methoxy-2,5-dioxo-3-pyrroline-3-carboxylate 
• 93125-63-4 (S)-4-((4R,4aS,8aS)-2,6-Diphenyl-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-2,6-dioxo-piperidine-3-carboxylic acid methyl ester 
• 105-34-0 methyl 2-cyanoacetate 
• 106109-81-3 Malonsaeure-p-toluidid-methylester 
• 1531650-23-3 C₁₂H₁₀ClNO₃ 
• 1328882-88-7 C₁₄H₁₅NO₆ 
• 1251939-69-1 methyl 2-(4-(3,5-bis(trifluoromethyl)phenyl)oxazol-2-yl)acetate 
• 144740-55-6 1,2-dihydro-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid methyl ester 
• 936850-82-7 [4-(4-trifluoromethyl-phenyl)-oxazol-2-yl]-acetic acid methyl ester 
• 4774-35-0 4-Hydroxy-5-methoxycarbonyl-pyrimidin 
• 595544-51-7 {4-[4-(2-Benzyloxycarbonylamino-ethoxy)-phenyl]-oxazol-2-yl}-acetic Acid Methyl Ester 
• 595544-45-9 [4-(4-Methoxy-phenyl)-oxazol-2-yl]-acetic Acid Methyl Ester 

Relevant articles and documents

Identification of N-acyl 4-(3-pyridonyl)phenylalanine derivatives and their orally active prodrug esters as dual acting α4β1 and α4β7 receptor antagonists

From a series of N-acyl 4-(3-pyridonyl)phenylalanine derivatives of 4, the trifluoromethyl derivative 28 was identified as a potent, dual acting alpha4 integrin antagonist with activity in primate models of allergic asthma. Investigation of a series of prodrug esters led to the discovery of the morpholinopropyl derivative 48 that demonstrated good intestinal fluid stability, solubility and permeability. Compound 48 gave high blood levels of 28 when dosed orally in cynomolgus monkeys. Surprisingly, hydrolysis of 48 was rapid in liver microsomes from the pharmacological species, mouse, rat and monkey, but slow in dog and human; in vivo studies also indicated there was prolonged exposure to unchanged prodrug in dogs.

Odorless thioacetalization reagent 2-[1,3] dithian-2-ylidene-3-oxo- butanamide and its chemoselectivity

2-[1,3]Dithian/dithiolan-2-ylidene-3-oxo-butanamide 2a/2b were synthesized and investigated in the thioacetalization reaction of aldehydes/ketones 3. The experiments revealed that 2a could be used as a nonthiolic, odorless 1,3-propanedithiol equivalent in the conversion of aldehydes/ketones into the corresponding dithianes 4, however, 2b was less effective. Moreover, the chemoselectivity of the thioacetalization of 3 in the presence of 2a is discussed.

Synthesis of 2/6-(polychloromethyl)pyridinecarboxylates

Due to their relationship to certain bio-active 2,6-(polyfluoromethyl)-3,5-pyridinedicarboxylates 12, methodology was developed to prepare new, but analogous 2/6 (polychloromethyl)pyridinecarboxylates 6, 9, 10, 13, 18 and 20.Successful methods to prepare these materials include several chlorination procedures, mixed Hantzsch sequences, and aluminium chloride interchanges with 12 and 16.