Methyl 1-pyrrolecarboxylate - CAS 4277-63-8

Catalog:	BB025220
Product Name:	Methyl 1-pyrrolecarboxylate
CAS:	4277-63-8
Synonyms:	methyl pyrrole-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl pyrrole-1-carboxylate
Description:	Methyl 1-pyrrolecarboxylate (CAS# 4277-63-8) is an alkyl pyrrolecarboxylate, used in the chemical synthesis of various compounds.
Molecular Weight:	125.13
Molecular Formula:	C6H7NO2
Canonical SMILES:	COC(=O)N1C=CC=C1
InChI:	InChI=1S/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H3
InChI Key:	MORALDOSFHZOQS-UHFFFAOYSA-N
Boiling Point:	182.5 °C at 760 mmHg
Density:	1.113 g/cm³
MDL:	MFCD00126403
LogP:	1.10260

Publication Number	Title	Priority Date
KR-20200075779-A	Resist composition and patterning process	20181218
CN-107141299-B	Substituted pyrrole chromone compound and application thereof	20170303
CN-108419435-A	Compound and epigenetics for treating cancer	20151009
NZ-715253-A	Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis b	20130725
NZ-713201-A	Sulphamoylpyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis b	20130517

PMID	Publication Date	Title	Journal
17109213	20070101	Aqueous-soluble, non-reversible lipid conjugate of salmon calcitonin: synthesis, characterization and in vivo activity	Pharmaceutical research

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Related Functional Groups

Pyrroles

[1375064-62-2]
Ethyl 2-Bromopyrrole-1-carboxylate
[168102-05-4]
Ethyl 3-Fluoropyrrole-2-carboxylate
[473401-82-0]
1-(tert-Butyl) 2,5-dimethyl 1H-pyrrole-1,2,5-tricarboxylate
[17106-15-9]
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
[73286-71-2]
N-Boc-2,3-dihydro-1H-pyrrole
[117657-37-1]
N-Boc-2-bromopyrrole

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.047678466
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	125.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	31.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9