Benzyl prop-2-yn-1-ylcarbamate

Base Information

• Chemical Name: Benzyl prop-2-yn-1-ylcarbamate
• CAS No.: 120539-91-5
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.214
• Hs Code.: 2924299090
• European Community (EC) Number: 836-215-9
• DSSTox Substance ID: DTXSID20456565
• Nikkaji Number: J1.053.566B
• Wikidata: Q72442854
• Mol file: 120539-91-5.mol

Synonyms:Benzyl prop-2-yn-1-ylcarbamate;120539-91-5;Benzyl N-prop-2-ynylcarbamate;N-Cbz-propargylamine;BENZYL PROP-2-YNYLCARBAMATE;N-Carbobenzoxypropargylamine;BENZYL N-(PROP-2-YN-1-YL)CARBAMATE;N-Cbz-2-propyn-1-amine;N-Cbz-Propylamine;N-Cbz propargylamine;Carbamic acid, 2-propynyl-, phenylmethyl ester;Benzylprop-2-yn-1-ylcarbamate;SCHEMBL3211861;DTXSID20456565;SVBHWCDDVMKYTN-UHFFFAOYSA-N;Propargylcarbamic acid benzyl ester;VEA53991;MFCD10698152;AKOS006243096;AB61413;Prop-2-ynyl-carbamic acid Benzyl Ester;AS-38735;B5958;CS-0187319;FT-0728541;EN300-269141;A906971;Z193021306

Chemical Property of Benzyl prop-2-yn-1-ylcarbamate

Chemical Property:

• Melting Point: 39-41℃
• Boiling Point: 324℃
• PKA: 11.03±0.46(Predicted)
• Flash Point: 150℃
• PSA: 41.82000
• Density: 1.127
• LogP: 1.75040
• Storage Temp.: 2-8°C
• Solubility.: soluble in Ethanol
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

N-Cbz-Propylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCNC(=O)OCC1=CC=CC=C1
• Uses: N-Cbz-propargylamine is used in the preparation of one-point binding ligands for asymmetric gold catalysis, allowing for further organic synthesis reactions to occur efficiently. In addition, N-Cbz-Propylam ine is used for protective groups in organic synthesis. N-Cbz-Propylamine used in the preparation of one-point binding ligands for asymmetric gold catalysis, allowing for further organic synthesis reactions to occur efficiently. In addition, N-Cbz-Propylamine is used for protective groups in organic synthesis.

Technology Process of Benzyl prop-2-yn-1-ylcarbamate

There total 5 articles about Benzyl prop-2-yn-1-ylcarbamate 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%

benzyl chloroformate (501-53-1,94274-21-2) + Propargylamine (2450-71-7) → prop-2-ynyl-carbamic acid benzyl ester (120539-91-5)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; water; at 0 - 20 ℃; for 14h; Inert atmosphere;

DOI:10.1002/chem.201101346

Reference yield: 91.0%

N-(Benzyloxycarbonyloxy)succinimide (13139-17-8) + Propargylamine (2450-71-7) → prop-2-ynyl-carbamic acid benzyl ester (120539-91-5)

Guidance literature:

In dichloromethane; 0 deg C, 30 min then r.t.;

DOI:10.1055/s-1995-3893

Reference yield: 84.0%

N-(benzyloxycarbonyl)succinimide (75315-63-8) + Propargylamine (2450-71-7) → prop-2-ynyl-carbamic acid benzyl ester (120539-91-5)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

DOI:10.1055/s-0030-1258041

upstream raw materials:

N-(Benzyloxycarbonyloxy)succinimide

Propargylamine

benzyl chloroformate

phenyl chloroformate

Downstream raw materials:

N-(benzyloxycarbonyl)-N-(tert-butoxycarbonyl)propargylamine

3-(4-[3-(3-benzyloxycarbonylamino-prop-1-ynyl)-phenyl]-4-methyl-2,5-dioxo-imidazolidin-1-ylmethyl)-benzoic acid methyl ester

C₃₃H₄₉N₉O₆Si₂

benzyl (3-phenylprop-2-yn-1-yl)carbamate