3-Amino-1-benzylpyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 3-Amino-1-benzylpyrrolidine-3-carboxylic acid
• CAS No.: 145602-87-5
• Molecular Formula: C12H16N2O2
• Molecular Weight: 220.27
• Hs Code.: 2933990090
• European Community (EC) Number: 823-626-3
• DSSTox Substance ID: DTXSID00932650
• Mol file: 145602-87-5.mol

Synonyms:3-AMINO-1-BENZYLPYRROLIDINE-3-CARBOXYLIC ACID;145602-87-5;MFCD06410530;3-amino-1-benzyl-pyrrolidine-3-carboxylic Acid;SCHEMBL8576692;DTXSID00932650;IXBOFOMZFVXPTF-UHFFFAOYSA-N;AKOS005363035;AB24553;BS-12364;SY014502;CS-0308289;FT-0643380;EN300-113995;3-Amino-1-(benzyl)-pyrrolidine-3-carboxylic acid;A808396;J-511508;(+/-)-3-amino-1-benzyl-3-pyrrolidinecarboxylic acid;3-amino-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid;3-Pyrrolidinecarboxylicacid,3-amino-1-(phenylmethyl)-;3-azanyl-1-(phenylmethyl)pyrrolidine-3-carboxylic acid;3-Pyrrolidinecarboxylic acid, 3-amino-1-(phenylmethyl)-;Z370712444

Chemical Property of 3-Amino-1-benzylpyrrolidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.605
• Boiling Point: 371.22 °C at 760 mmHg
• PKA: 1.91±0.20(Predicted)
• Flash Point: 178.308 °C
• PSA: 66.56000
• Density: 1.249 g/cm³
• LogP: 1.31260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 264

Purity/Quality:

98%min ^*data from raw suppliers

3-amino-1-benzylpyrrolidine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CC1(C(=O)O)N)CC2=CC=CC=C2
• Uses: 3-amino-1-benzylpyrrolidine-3-carboxylic acid is a useful research chemical.

Technology Process of 3-Amino-1-benzylpyrrolidine-3-carboxylic acid

There total 4 articles about 3-Amino-1-benzylpyrrolidine-3-carboxylic acid 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: 73.0%

7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (28863-87-8) → 3-amino-1-benzylpyrrolidine-3-carboxylic acid (145602-87-5)

Guidance literature:

With hydrogenchloride; hydrogen bromide; acetic acid; for 96h; Heating;

DOI:10.1021/jm010057b

Reference yield:

C21H20N2O4 (1319059-78-3) → 3-amino-1-benzylpyrrolidine-3-carboxylic acid (145602-87-5)

Guidance literature:

With hydrogenchloride; In chloroform; water; for 24h; Reflux;

Reference yield:

pyrrolidine (123-75-1) + 3-Amino-1-benzyl-pyrrolidine-3-carbonitrile (145090-28-4) + water (7732-18-5) → 3-amino-1-benzylpyrrolidine-3-carboxylic acid (145602-87-5)

Guidance literature:

With sodium hydroxide; hydrogen bromide; In ethanol;

upstream raw materials:

7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

pyrrolidine

3-Amino-1-benzyl-pyrrolidine-3-carbonitrile

water

Downstream raw materials:

cucurbitine hydrochloride

1-benzyl-3-N-tert-butoxycarbonylamino-3-hydroxymethylpyrrolidine

(3-hydroxymethyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester

3-amino-1-benzyl-3-hydroxymethylpyrrolidine

Refernces

• 1、 -. "METHOD FOR CUCURBITINE SYNTHESIS". Page/Page column 8-9. . Retrieved 2011/08/21.
• 2、 -. "Antiallergic cosmetic or pharmaceutical composition". . . Retrieved 2008/06/13.