Methyl 1-Methyl-2-oxopyrrolidine-4-carboxylate

Modify Date: 2025-08-21 19:43:18

Methyl 1-Methyl-2-oxopyrrolidine-4-carboxylate structure	Common Name	Methyl 1-Methyl-2-oxopyrrolidine-4-carboxylate
	CAS Number	59857-86-2	Molecular Weight	157.16700
	Density	1.173g/cm3	Boiling Point	263.7ºC at 760 mmHg
	Molecular Formula	C₇H₁₁NO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	113.3ºC

Name	Methyl 1-methyl-5-oxopyrrolidine-3-carboxylate
Synonym	More Synonyms

Density	1.173g/cm3
Boiling Point	263.7ºC at 760 mmHg
Molecular Formula	C₇H₁₁NO₃
Molecular Weight	157.16700
Flash Point	113.3ºC
Exact Mass	157.07400
PSA	46.61000
Index of Refraction	1.476
InChIKey	JFZRRXGXEHUJCI-UHFFFAOYSA-N
SMILES	COC(=O)C1CC(=O)N(C)C1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UY0557000

CHEMICAL NAME :: 3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-, methyl ester

CAS REGISTRY NUMBER :: 59857-86-2

BEILSTEIN REFERENCE NO. :: 0473460

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H11-N-O3

MOLECULAR WEIGHT :: 157.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 38,2308,1990 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 38,2308,1990

HS Code	2933790090

Methanol

CAS#:67-56-1

1-methyl-5-oxo-...

CAS#:42346-68-9

Methyl 1-Methyl...

CAS#:59857-86-2

Literature: CLARIANT FINANCE (BVI) LIMITED; Wacker, Andreas; Hess, Joachim; Kupfer, Rainer; Roesch, Alexander Patent: US2013/217579 A1, 2013 ; Location in patent: Paragraph 0078 ;

Dimethyl itaconate

CAS#:617-52-7

methylamine

CAS#:74-89-5

~92%

Methyl 1-Methyl...

CAS#:59857-86-2

Literature: Stanetty, Peter; Turner, Martin; Mihovilovic, Marko D. Molecules, 2005 , vol. 10, # 2 p. 367 - 375

methyl 6-methyl...

CAS#:173853-91-3

~58%

Methyl 1-Methyl...

CAS#:59857-86-2

Literature: Fishwick, Colin W. G.; Foster, Richard J.; Carr, Robin E. Tetrahedron Letters, 1995 , vol. 36, # 51 p. 9409 - 9412

Precursor 5
CAS#:67-56-1 Methanol CAS#:42346-68-9 1-methyl-5-oxo-... CAS#:617-52-7 Dimethyl itaconate CAS#:74-89-5 methylamine
CAS#:173853-91-3 methyl 6-methyl...
DownStream 4
CAS#:42346-68-9 1-methyl-5-oxo-... CAS#:174747-39-8 3-Pyrrolidineca... CAS#:59857-92-0 1-methyl-4-(oxa... CAS#:59887-20-6 4-(hydroxymethy...