(1-Benzylpyrrolidin-3-yl)methanol

Base Information

• Chemical Name: (1-Benzylpyrrolidin-3-yl)methanol
• CAS No.: 5731-17-9
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• Hs Code.: 2933990090
• European Community (EC) Number: 674-580-4
• ChEMBL ID: CHEMBL4591769
• DSSTox Substance ID: DTXSID90409189
• Nikkaji Number: J46.939D
• Mol file: 5731-17-9.mol

Synonyms:5731-17-9;(1-benzylpyrrolidin-3-yl)methanol;1-Benzylpyrrolidin-3-yl-methanol;1-(phenylmethyl)-3-pyrrolidinemethanol;(1-benzyl-pyrrolidin-3-yl)-methanol;1-Benzylpyrrolidine-3-methanol;1-benzyl-3-pyrrolidinemethanol;85353-79-3;1-Benzyl-3-hydroxymethylpyrrolidine;(1-benzyl-3-pyrrolidinyl)methanol;1-Benzyl-DL-beta-prolinol;N-benzyl-3-hydroxymethylpyrrolidine;MFCD04038527;(1-Benzylpyrrolidin-3-yl)methanol hydrochloride;3-Pyrrolidinemethanol, 1-(phenylmethyl)-;1-n-benzyl-3-hydroxymethylpyrrolidine;SCHEMBL1386235;CHEMBL4591769;N-Benzyl-pyrrolidine-3-methanol;AMY2361;DTXSID90409189;(1-Benzylpyrolidin-3-yl)methanol;N-Benzyl- pyrrolidine-3-methanol;QPQQBJDSKDWQMJ-UHFFFAOYSA-N;3-hydroxymethyl-1-benzylpyrrolidine;1-benzyl-3-pyrrolidin-3-ylmethanol;N-Benzyl-3-hydroxymethyl-pyrrolidine;1-(benzyl-pyrrolidin-3-yl)-methanol;AKOS005168978;(1 -Benzyl-pyrrolidin-3-yl)-methanol;AB17111;AB50974;AB50975;AC-7575;SB11644;DS-11109;SY008402;(3RS)-1-benzyl-3-hydroxymethylpyrrolidine;1-phenylmethyl-3-hydroxymethyl pyrrolidine;(3RS)-1-benzyl-3-hydroxymethyl pyrrolidine;(r/s)-(1-benzyl-pyrrolidin-3-yl)-methanol;A8171;BB 0240302;CS-0005410;FT-0646345;FT-0709658;FT-0770885;FT-0772776;1-Benzylpyrrolidin-3-yl-methanol, AldrichCPR;EN300-56567;J-503590;F2147-0749;Z858037946;1-BENZYL-DL-BETA-PROLINOL

Chemical Property of (1-Benzylpyrrolidin-3-yl)methanol

Chemical Property:

• Boiling Point: 274.9 °C at 760 mmHg
• Flash Point: 115.4 °C
• PSA: 23.47000
• Density: 1.082 g/cm³
• LogP: 1.43870
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

98%,99%, ^*data from raw suppliers

(1-Benzylpyrrolidin-3-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC1CO)CC2=CC=CC=C2

Technology Process of (1-Benzylpyrrolidin-3-yl)methanol

There total 20 articles about (1-Benzylpyrrolidin-3-yl)methanol 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: 99.14%

methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate (51535-00-3) → 1-(Phenylmethyl)-3-pyrrolidinemethanol (5731-17-9)

Guidance literature:

methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate; With dimethylsulfide; borane; In toluene; at 0 - 110 ℃; for 16h; Heating / reflux;

With sodium hydrogencarbonate; In water; toluene; at -10 - 20 ℃; for 2h; Heating / reflux;

Reference yield: 88.0%

1-benzyl-pyrrolidine-3-carboxylic acid (5731-18-0,216311-57-8) → 1-(Phenylmethyl)-3-pyrrolidinemethanol (5731-17-9)

Guidance literature:

1-benzyl-pyrrolidine-3-carboxylic acid; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

With water; In tetrahydrofuran; at 0 ℃;

Reference yield: 88.0%

1-benzylpyrrolidine-3-carboxylic acid methyl ester (17012-21-4) → 1-(Phenylmethyl)-3-pyrrolidinemethanol (5731-17-9)

Guidance literature:

With sodium sulfate; In tetrahydrofuran;

upstream raw materials:

benzyl chloride

3-hydroxymethyl-N-(1'-hydroxy-2'-butyl)-pyrrolidine

1-benzyl-5-oxopyrrolidine-3-carboxylic acid

methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate

Downstream raw materials:

1-(phenylmethyl)-3-pyrrolidinemethanol 4-methylbenzenesulfonate ester

pyrrolidin-3-ylmethanol

C-(1-benzyl-pyrrolidin-3-yl)-methylamine

3-(chloromethyl)-1-(phenylmethyl)pyrrolidine

Refernces

• 1、 van Greunen, Divan G.,Cordier, Werner,Nell, Margo,van der Westhuyzen, Chris,Steenkamp, Vanessa,Panayides, Jenny-Lee,Riley, Darren L.. "Targeting Alzheimer's disease by investigating previously unexplored chemical space surrounding the cholinesterase inhibitor donepezil". . p. 671 - 690. Retrieved 2017/02/10.
• 2、 Rodriguez-Lucena, David,Morin, Marie S.T.,Compain, Philippe. "Concise synthesis of bicyclic aminals by way of catalytic intramolecular C-H amination and evaluation of their reactivity as iminium precursors". scheme or table. p. 155 - 162. Retrieved 2012/04/04.