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Basic information
- CAS
99275-47-5- Standard SMILES
COc1ccc2c(ccn2C(=O)OC(C)(C)C)c1- InChIKey
LPSLGTZFBDZNEK-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.294 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- 1-BOC-5-methoxyindole
- IUPAC
- tert-Butyl 5-methoxy-1H-indole-1-carboxylate
- English name
- 1-Boc-5-methoxyindole
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
N-BOC-5-METHOXYINDOLE1-Boc-5-methoxyindole1-Boc-5-methoxy-1H-indoleN-Boc-5-methoxyindole5-Methoxy-1H-indole, N-BOC protected5-Methoxy-1H-indole,N-BOCprotected98%N-(tert-Butoxycarbonyl)-5-methoxyindole5-Methoxy-1H-indole, N-BOC protected 98%tert-butyl 5-methoxyindole-1-carboxylate1-(tert-butyloxycarbonyl)-5-methoxyindole
Database identifiers
- CAS
99275-47-5- PubChem CID
- 11831752
- DTXSID
DTXSID00474161- EC Number
- 624-821-4
- Nikkaji
- J416.466K
Properties
Physicochemical properties
- Melting point
- 75 · 75-79 °C
- Boiling point
- 357.3 · 357.3±34.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-9H,1-4H3
- InChIKey
- LPSLGTZFBDZNEK-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)C2=C(C=C(OC)C=C2)C=C1
- CAS DataBase Reference
- 99275 · 99275-47-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 301 · P301+P310+P330-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful/Irritant/Keep Cold
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn
- hazard_note
- Harmful/Irritant/Keep Cold
- safety_code
- 26
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H319
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- Precautionary statements
- P301+P310+P330-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for preparation of:• ;Asymmetric intramolecular Friedel-Crafts alkylation reaction1• ;Palladium-catalyzed carboaminoxylations with arylboronic acids and TEMPO catalyst2• ;Fluorescent pyrimidopyrimidoindole nucleosides via Suzuki-Miyaura coupling reaction3• ;Novel conformationally restricted β- and γ-amino acids4• ;2-(Indolyl) borates, silanes, and silanols5• ;DNA minor groove alkylating agents as stable amine-based prodrugs designed for tumor-specific release6
UsesReactant for preparation of:Asymmetric intramolecular Friedel-Crafts alkylation reactionPalladium-catalyzed carboaminoxylations with arylboronic acids and TEMPO catalystFluorescent pyrimidopyrimidoindole nucleosides via Suzuki-Miyaura coupling reactionNovel conformationally restricted β- and γ-amino acids2-(Indolyl) borates, silanes, and silanolsDNA minor groove alkylating agents as stable amine-based prodrugs designed for tumor-specific release
Suppliers62 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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