tert-Butyl (2-(1H-indol-3-yl)ethyl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-(1H-indol-3-yl)ethyl)carbamate
• CAS No.: 103549-24-2
• Molecular Formula: C15H20 N2 O2
• Molecular Weight: 260.336
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60351126
• Nikkaji Number: J1.663.532D
• Wikidata: Q82127292
• Mol file: 103549-24-2.mol

Synonyms:103549-24-2;boc-tryptamine;tert-Butyl (2-(1H-indol-3-yl)ethyl)carbamate;tert-butyl N-[2-(1H-indol-3-yl)ethyl]carbamate;tert-Butyl 2-(1H-indol-3-yl)ethylcarbamate;tert-butyl [2-(1H-indol-3-yl)ethyl]carbamate;TERT-BUTOXYCARBONYL-TRYPTAMINE;ChemDiv2_004971;tert-butyl(2-(1H-Indol-3-yl)ethyl)carbamate;Oprea1_699359;SCHEMBL5745010;DTXSID60351126;N-(tert-Butoxycarbonyl)tryptamine;UJUWQLXEMKUVGE-UHFFFAOYSA-N;HMS1383B21;AB6707;MFCD00716928;STK755029;ZINC00063026;AKOS005615745;IDI1_003686;CS-0314357;FT-0738843;B-5260;SR-01000515234;SR-01000515234-1

Chemical Property of tert-Butyl (2-(1H-indol-3-yl)ethyl)carbamate

Chemical Property:

• Melting Point: 88-90 °C
• Boiling Point: 449.3±28.0 °C(Predicted)
• PKA: 12.91±0.46(Predicted)
• PSA: 54.12000
• Density: 1.133±0.06 g/cm3(Predicted)
• LogP: 3.62600
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 260.152477885
• Heavy Atom Count: 19
• Complexity: 312

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(2-(1H-indol-3-yl)ethyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCC1=CNC2=CC=CC=C21

Technology Process of tert-Butyl (2-(1H-indol-3-yl)ethyl)carbamate

There total 33 articles about tert-Butyl (2-(1H-indol-3-yl)ethyl)carbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

tryptamine (61-54-1) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl [2-(1H-indol-3-yl)ethyl]carbamate (103549-24-2)

Guidance literature:

With triethylamine; In 1,4-dioxane; for 1h;

DOI:10.1021/ol1018008

Reference yield: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + tryptamine hydochloride (343-94-2) → tert-butyl [2-(1H-indol-3-yl)ethyl]carbamate (103549-24-2)

Guidance literature:

With triethylamine; In 1,4-dioxane; at 20 ℃; for 24h;

DOI:10.1055/s-2006-950318

Reference yield: 98.0%

tryptamine (61-54-1) → tert-butyl [2-(1H-indol-3-yl)ethyl]carbamate (103549-24-2)

Guidance literature:

With hydrogenchloride; In dichloromethane; water; at 0 - 25 ℃; for 2h; Inert atmosphere;

DOI:10.1002/anie.200800404

upstream raw materials:

tryptamine

di-tert-butyl dicarbonate

indole-3-acetonitrile

tryptamine hydochloride

Downstream raw materials:

N¹-benzyl-N¹⁰-BOC-tryptamine