tert-Butyl 3-iodo-5-methoxy-1H-indole-1-carboxylate

HCID 10690715

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Basic information

CAS: 192189-10-9
Standard SMILES: COc1ccc2c(c1)c(I)cn2C(=O)OC(C)(C)C
InChIKey: RWYNBDBUFOORRC-UHFFFAOYSA-N
Molecular formula: C14H16INO3
Average molar mass: 373.19 g/mol
Monoisotopic mass: 373.01749

Overview

See also: 3-Iodo-5-methoxy-1H-indole, N-BOC protected (annotation moved to).

Names & identifiers

Preferred name: tert-Butyl 3-iodo-5-methoxy-1H-indole-1-carboxylate
IUPAC: tert-butyl 3-iodo-5-methoxyindole-1-carboxylate
English name: 3-IODO-5-METHOXYINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Molecular formula: C14H16INO3
Molecular weight: 373.19

Names & synonyms

192189-10-9tert-Butyl 3-iodo-5-methoxy-1H-indole-1-carboxylatetert-butyl 3-iodo-5-methoxyindole-1-carboxylate3-Iodo-5-methoxyindole-1-carboxylic acid tert-butyl esterMFCD05864763N-Boc-3-iodo-5-methoxy-1H-indole1H-Indole-1-carboxylic acid, 3-iodo-5-methoxy-, 1,1-dimethylethyl esterTert-butyl 3-iodo-5-methoxy-indole-1-carboxylateSCHEMBL14304582SCHEMBL29942639DTXSID90443588TQP1294

Show more names

Zinc025637793-Iodo-5-methoxy-1H-indole, N-BOC protected3-Iodo-5-methoxyindole, N-BOC protected 98%3-Iodo-5-methoxy-1H-indole,N-BOCprotected98%3-Iodo-5-methoxy-1H-indole, N-BOC protected 98%tert-butyl 3-iodo-5-methoxy-2-methyl-1H-indole-1-carboxylate

AKOS015911396DS-24263-Iodo-5-methoxyindole, N-BOC protectedSY041316DB-002014F226166tert-Butyl3-iodo-5-methoxy-1H-indole-1-carboxylate3-IODO-5-METHOXYINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;3-IODO-5-METHOXYINDOLE, N-BOC PROTECTED;3-Iodo-5-methoxyindole, N-BOC protected 98%;Zinc02563779

Database identifiers

CAS: 192189-10-9
PubChem CID: 10690715
DTXSID: DTXSID90443588
Nikkaji: J2.168.696D

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 342

Physicochemical properties

storage temp.: 2 · 2-8°C(protect from light)
Appearance: Off-white to pale purple Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P312
Hazard Note: Harmful
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
hazard_note: Harmful
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P312

Chemistry & industry

Suppliers43 total

T&W GROUP021-61551611 13296011611 · [email protected]

Aladdin Scientific[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

Related reactions

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Compound notes

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