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3-(Boc-amino)-2-bromothiophene - 97%, high purity , CAS No.21483-64-7
Basic Description
Synonyms
tert-Butyl (2-bromothiophen-3-yl)carbamate | 21483-64-7 | 3-(BOC-AMINO)-2-BROMOTHIOPHENE | tert-butyl N-(2-bromothiophen-3-yl)carbamate | SCHEMBL437283 | DTXSID20524071 | UCPJQSLSJLTVND-UHFFFAOYSA-N | WAA48364 | MFCD01927222 | AKOS023846777 | tert-Butyl 2-bromothien-3-ylcarb
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Aryl halides
Subclass
Aryl bromides
Intermediate Tree Nodes
Not available
Direct Parent
Aryl bromides
Alternative Parents
Thiophenes Heteroaromatic compounds Carbamate esters Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl bromide - Heteroaromatic compound - Carbamic acid ester - Thiophene - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
tert-butyl N-(2-bromothiophen-3-yl)carbamate
INCHI
InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-6-4-5-14-7(6)10/h4-5H,1-3H3,(H,11,12)
InChIKey
UCPJQSLSJLTVND-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)NC1=C(SC=C1)Br
Isomeric SMILES
CC(C)(C)OC(=O)NC1=C(SC=C1)Br
WGK Germany
3
Molecular Weight
278.17
Reaxy-Rn
1372135
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1372135&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
278.170 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
276.977 Da
Monoisotopic Mass
276.977 Da
Topological Polar Surface Area
66.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
217.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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