CAS 262278-40-0 tert-Butyl (4-iodobutyl)carbamate (HCID 53439149)

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Basic information

CAS: 262278-40-0
Standard SMILES: CC(C)(C)OC(=O)NCCCCI
InChIKey: KJMOGHNVYHTFRG-UHFFFAOYSA-N
Molecular formula: C9H18INO2
Average molar mass: 299.15 g/mol
Monoisotopic mass: 299.03823

Names & identifiers

Preferred name: tert-Butyl (4-iodobutyl)carbamate
IUPAC: tert-butyl N-(4-iodobutyl)carbamate
English name: TERT-BUTYL 4-IODOBUTYLCARBAMATE
Molecular formula: C9H18INO2
Molecular weight: 299.15

Names & synonyms

262278-40-0tert-Butyl (4-iodobutyl)carbamateTERT-BUTYL 4-IODOBUTYLCARBAMATETERT-BUTYL N-(4-IODOBUTYL)CARBAMATEMFCD09951820N-(tert-butoxycarbonyl)-4-iodobutylamineC9H18INO21-(Boc-amino)-4-iodobutaneCarbamic acid, N-(4-iodobutyl)-, 1,1-dimethylethyl esterCarbamic acid, (4-iodobutyl)-, 1,1-dimethylethyl esterSCHEMBL2233648tert-Butyl(4-iodobutyl)carbamate

Show more names

DTXSID90701756s11808MS-21590N-tert-butoxycarbonyl-4-amino-1-iodobutaneCS-0137589tert-Butyl (4-(4-Iodobutyl)-carbamic Acid Tert-butyl Estert-Butyl 4-iodobutylcarbamate

Database identifiers

CAS: 262278-40-0
PubChem CID: 53439149
DTXSID: DTXSID90701756

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 13
Formal charge: 0
Complexity: 154

Physicochemical properties

Boiling point: 319.1 · 319.1±25.0 °C(Predicted)
Density: 1.436 · 1.436±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, protect from light, stored under nitrogen
pka: 12.78 · 12.78±0.46(Predicted)
form: Solid-Liquid Mixture
Appearance: Off-white to light yellow Solid-liquid mixture
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 2 items

Descriptiontert-Butyl (4-iodobutyl)carbamate is a four carbon linker containing a Boc-protected amino group and an iodine group. The Boc group can be deprotected under mild acidic conditions to form the free amine. Iodine (I) is a very good leaving group for nucleophilic substitution reactions.

Usestert-Butyl (4-iodobutyl)carbamate is a four carbon linker containing a Boc-protected amino group and an iodine group. The Boc group can be deprotected under mild acidic conditions to form the free amine. Iodine (I) is a very good leaving group for nucleophilic substitution reactions.