(2,3-Diazidopropyl)-carbamic Acid 1,1-Dimethylethyl Ester

Base Information

• Chemical Name: (2,3-Diazidopropyl)-carbamic Acid 1,1-Dimethylethyl Ester
• CAS No.: 190840-29-0
• Molecular Formula: C8H15N7O2
• Molecular Weight: 241.253
• DSSTox Substance ID: DTXSID40572110
• Nikkaji Number: J2.566.776J
• Mol file: 190840-29-0.mol

Synonyms:190840-29-0;(2,3-Diazidopropyl)-carbamic Acid 1,1-Dimethylethyl Ester;TERT-BUTYL N-(2,3-DIAZIDOPROPYL)CARBAMATE;N-(2,3-Diazidopropyl)-carbamic Acid 1,1-Dimethylethyl Ester;tert-Butyl (2,3-diazidopropyl)carbamate;DTXSID40572110

Chemical Property of (2,3-Diazidopropyl)-carbamic Acid 1,1-Dimethylethyl Ester

Chemical Property:

• PSA: 141.32000
• LogP: 1.61022
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 241.12872275
• Heavy Atom Count: 17
• Complexity: 349

Purity/Quality:

(2,3-Diazidopropyl)-carbamicAcid1,1-DimethylethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC(CN=[N+]=[N-])N=[N+]=[N-]
• Uses: (2,3-Diazidopropyl)-carbamic Acid 1,1-Dimethylethyl Ester can be used in the preparation of Vestipitant and in the preparation of tricyclic erythromycins.

Technology Process of (2,3-Diazidopropyl)-carbamic Acid 1,1-Dimethylethyl Ester

There total 1 articles about (2,3-Diazidopropyl)-carbamic Acid 1,1-Dimethylethyl Ester 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:

tert-butyl N-(2,3-dihydroxypropyl)carbamate (137618-48-5) → 1,2-diazido-3-(BOC-amino)propane (190840-29-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / Et₃N / CH₂Cl₂ / 1.) 0 deg C, 1 h, 2.) r.t., 30 min

2: 69 percent / NaN₃, 15-crown-5 / dimethylformamide / 12 h / 60 - 70 °C

With sodium azide; 15-crown-5; triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1055/s-1998-2128

Reference yield: 100.0%

3,5-bis-trifluoromethylbenzylamine (85068-29-7) + 1,2-diazido-3-(BOC-amino)propane (190840-29-0) → C17H19F6N7O2 (1208864-72-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

DOI:10.1016/j.bmcl.2009.11.078

Reference yield: 99.0%

1,2-diazido-3-(BOC-amino)propane (190840-29-0) → 1,2-diamino-3-(BOC-amino)propane (163133-92-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; under 2250.2 Torr;

DOI:10.1055/s-1998-2128

upstream raw materials:

tert-butyl N-(2,3-dihydroxypropyl)carbamate

Downstream raw materials:

1,2-diamino-3-(BOC-amino)propane

C₁₇H₁₉F₆N₇O₂

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