Methyl 3-(Boc-amino)thiophene-2-carboxylate - CAS 149587-72-4

Catalog:	BB010428
Product Name:	Methyl 3-(Boc-amino)thiophene-2-carboxylate
CAS:	149587-72-4
Synonyms:	methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate
Description:	Methyl 3-(Boc-amino)thiophene-2-carboxylate (CAS# 149587-72-4) is a useful research chemical.
Molecular Weight:	257.31
Molecular Formula:	C11H15NO4S
Canonical SMILES:	CC(C)(C)OC(=O)NC1=C(SC=C1)C(=O)OC
InChI:	InChI=1S/C11H15NO4S/c1-11(2,3)16-10(14)12-7-5-6-17-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14)
InChI Key:	JEMOHNKXRFEUDT-UHFFFAOYSA-N
MDL:	MFCD01763684
LogP:	2.95470

Publication Number	Title	Priority Date
US-2021128744-A1	Thienoazepine immunoconjugates, and uses thereof	20191025
WO-2021081402-A1	Macromolecule-supported thienoazepine compounds, and uses thereof	20191025
WO-2021081407-A1	Thienoazepine immunoconjugates, and uses thereof	20191025
WO-2019052557-A1	Îœ-OPIOID RECEPTOR AGONIST, ITS PREPARATION METHOD AND USE IN MEDICINE	20170918
US-2020270230-A1	Âµ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE	20170918

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Related Functional Groups

Thiophenes

[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate

GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501
Signal Word:	Warning

Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.07217913
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	257.07217913
Rotatable Bond Count:	5
Topological Polar Surface Area:	92.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9