Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate

Base Information

• Chemical Name: Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate
• CAS No.: 68471-57-8
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• Hs Code.: 2933998090
• European Community (EC) Number: 688-527-8
• DSSTox Substance ID: DTXSID50454271
• Nikkaji Number: J452.589B
• Wikidata: Q82275701
• Mol file: 68471-57-8.mol

Synonyms:68471-57-8;Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate;Benzyl 2,3-dihydropyrrole-1-carboxylate;1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-, phenylmethyl ester;Cbz Pyrroline;2,3-Dihydro-pyrrole-1-carboxylic acid benzyl ester;N-Cbz-2-Pyrroline;SCHEMBL2767868;Benzyl 2-pyrroline-1-carboxylate;DTXSID50454271;ZNLOEFQSAKKFGT-UHFFFAOYSA-N;MFCD20484343;SB13150;BS-42783;benzyl 2,3-dihydro-1hpyrrole-1-carboxylate;Benzyl2,3-dihydro-1H-pyrrole-1-carboxylate;CS-0183217;FT-0724912;N-Benzyloxycarbonyl-2,3-dihydropyrrole, 97%;F12537;A857237

Chemical Property of Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate

Chemical Property:

• Refractive Index: n20/D1.554
• Boiling Point: 331.8±35.0 °C(Predicted)
• PKA: -0.74±0.20(Predicted)
• Flash Point: >110℃
• PSA: 29.54000
• Density: 1.151 g/mL at 25 °C
• LogP: 2.48050
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

N-Benzyloxycarbonyl-2,3-dihydropyrrole 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-52
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C=C1)C(=O)OCC2=CC=CC=C2

Technology Process of Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate

There total 13 articles about Benzyl 2,3-dihydro-1H-pyrrole-1-carboxylate 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: 99.0%

1-carboxybenzyl-3-pyrrolidine (31970-04-4) → 2,3-dihydro-pyrrole-1-carboxylic acid benzyl ester (68471-57-8)

Guidance literature:

With Wilkinson's catalyst; In toluene; at 145 ℃; for 0.833333h; Microwave irradiation;

DOI:10.1021/ol203158p

Reference yield: 98.0%

1-(benzyloxycarbonyl)pyrrolidin-2-ol (69261-54-7,125982-42-5) → 2,3-dihydro-pyrrole-1-carboxylic acid benzyl ester (68471-57-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; acetyl chloride; In benzene; for 0.25h; Heating;

DOI:10.1080/00397919808004915

Reference yield: 82.0%

2-(Pyridin-2-ylsulfanylcarbonyl)-pyrrolidine-1-carboxylic acid benzyl ester (33861-72-2) → 2,3-dihydro-pyrrole-1-carboxylic acid benzyl ester (68471-57-8)

Guidance literature:

With zinc; nickel dichloride; In N,N-dimethyl-formamide; at 100 ℃; for 1.5h;

DOI:10.1246/cl.1980.709

upstream raw materials:

2-(Pyridin-2-ylsulfanylcarbonyl)-pyrrolidine-1-carboxylic acid benzyl ester

benzyl chloroformate

dodecahydro-3a,6a,9a-triaza-trindene

1-(benzyloxycarbonyl)pyrrolidin-2-ol

Downstream raw materials:

4,5-Dimethyl-3,5-dihydro-2H-pyrrolo[3,2-b]carbazole-1-carboxylic acid benzyl ester

benzyl 2,3-dihydroxypyrrolidine-1-carboxylate

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzyloxycarboxamide