3-Boc-aminomethylpyrrolidine

Base Information

• Chemical Name: 3-Boc-aminomethylpyrrolidine
• CAS No.: 149366-79-0
• Molecular Formula: C10H20N2O2
• Molecular Weight: 200.281
• Hs Code.: 2933990090
• European Community (EC) Number: 820-919-8
• ChEMBL ID: CHEMBL4586656
• DSSTox Substance ID: DTXSID50401225
• Mol file: 149366-79-0.mol

Synonyms:149366-79-0;3-Boc-aminomethylpyrrolidine;3-Boc-aminomethyl-pyrrolidine;tert-Butyl (pyrrolidin-3-ylmethyl)carbamate;Tert-butyl N-(pyrrolidin-3-ylmethyl)carbamate;3-(Boc-Aminomethyl)pyrrolidine;tert-Butyl [(Pyrrolidin-3-yl)methyl]carbamate;3-N-Boc-Aminomethyl pyrrolidine;TERT-BUTYL PYRROLIDIN-3-YLMETHYLCARBAMATE;MFCD04973997;Pyrrolidin-3-ylmethyl-carbamic acid tert-butyl ester;CARBAMIC ACID, N-(3-PYRROLIDINYLMETHYL)-, 1,1-DIMETHYLETHYL ESTER;Carbamic acid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester;SCHEMBL622379;CHEMBL4586656;DTXSID50401225;WIEJVMZWPIUWHO-UHFFFAOYSA-N;(S)-3-(Boc-aminomethyl)pyrrolidine;AKOS005258682;AC-2227;CS-W008683;PB14468;PB15798;PB32480;SB10243;SB10245;t-butyl (pyrrolidin-3-ylmethyl)carbamate;3-(t-butoxycarbonylaminomethyl)pyrrolidine;DS-11003;SY007934;SY021092;A3278;A3828;AM20080377;BB 0254428;FT-0601689;FT-0648152;FT-0648440;EN300-60205;tert-butyl N-[(pyrrolidin-3-yl)methyl]carbamate;3-(TERT-BUTOXYCARBONYLAMINOMETHYL)PYRROLIDINE;Q-102164;tert-butyl N-[(3R)-pyrrolidin-3-ylmethyl]carbamate;3-(RS)-(N-tert-butoxycarbonylaminomethyl)pyrrolidine;F8881-5490;tert-Butyl (pyrrolidin-3-ylmethyl)carbamate, AldrichCPR;3-N-BOC-AMINOMETHYL PYRROLIDINE;(R)-tert-butyl pyrrolidin-3-ylmethylcarbamate;(R)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate

Chemical Property of 3-Boc-aminomethylpyrrolidine

Chemical Property:

• Vapor Pressure: 0.000902mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 303.9 °C at 760 mmHg
• PKA: 12.71±0.46(Predicted)
• Flash Point: 137.6 °C
• PSA: 50.36000
• Density: 0.997 g/cm³
• LogP: 1.84030
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 200.152477885
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

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

3-Boc-Aminomethylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1CCNC1

Technology Process of 3-Boc-aminomethylpyrrolidine

There total 3 articles about 3-Boc-aminomethylpyrrolidine 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: 90.0%

tert-butyl (1-benzylpyrrolidin-3-yl) methylcarbamate → 3-(RS)-(N-tert-butoxycarbonylaminomethyl)pyrrolidine (149366-79-0)

Guidance literature:

With hydrogen; 20% Pd(OH)2 on carbon; In ethyl acetate; at 20 ℃; for 3h;

Reference yield: 90.0%

1-benzyl-3-<(t-butyloxycarbonyl)methylamino>-pyrrolidine (172477-98-4) → 3-(RS)-(N-tert-butoxycarbonylaminomethyl)pyrrolidine (149366-79-0)

Guidance literature:

With hydrogen; palladium hydroxide on carbon; In ethyl acetate; at 20 ℃; for 3h;

Reference yield:

(1-benzyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester (155497-10-2) → 3-(RS)-(N-tert-butoxycarbonylaminomethyl)pyrrolidine (149366-79-0)

Guidance literature:

With hydrogen; palladium on carbon; In methanol; for 24h; under 2585.81 Torr;

upstream raw materials:

(1-benzyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester

1-benzyl-3-<(t-butyloxycarbonyl)methylamino>-pyrrolidine

Downstream raw materials:

(1-benzoyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester

Refernces

• 1、 -. "NAPHTHALENE CARBOXAMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS". Page/Page column 54-55. . Retrieved 2010/02/11.
• 2、 -. "BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE". Page 79; 80. . Retrieved 2010/02/04.