1-(3-Bromopropyl)pyrrolidine

Base Information

• Chemical Name: 1-(3-Bromopropyl)pyrrolidine
• CAS No.: 113385-33-4
• Molecular Formula: C7H14 Br N
• Molecular Weight: 192.1
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00515922
• Wikidata: Q82377071
• Mol file: 113385-33-4.mol

Synonyms:1-(3-Bromopropyl)pyrrolidine;113385-33-4;1-(3-bromopropyl)-pyrrolidine;Pyrrolidine, 1-(3-bromopropyl)-;SCHEMBL1944808;1-(3-Bromo-propyl)-pyrrolidine;DTXSID00515922;KLJFMOLCQITNEG-UHFFFAOYSA-N;AC-946;AKOS010540547;CS-0376335;FT-0724333;D88134;EN300-133047

Chemical Property of 1-(3-Bromopropyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 0.192mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 210.5°C at 760 mmHg
• PKA: 10.02±0.20(Predicted)
• Flash Point: 81.1°C
• PSA: 3.24000
• Density: 1.306g/cm³
• LogP: 1.80510
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 191.03096
• Heavy Atom Count: 9
• Complexity: 69.3

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Bromopropyl)pyrrolidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CCCBr

Technology Process of 1-(3-Bromopropyl)pyrrolidine

There total 1 articles about 1-(3-Bromopropyl)pyrrolidine 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: 52.0%

1-allyl-pyrrolidine (24420-11-9) → 1-(3-bromopropyl)pyrrolidine (113385-33-4)

Guidance literature:

With 2-methyl-but-2-ene; trimethylsilyl bromide; oxygen; copper(I) bromide; In dichloromethane; water; at 20 ℃;

DOI:10.1021/acs.orglett.1c02186

Reference yield: 54.0%

1-(3-bromopropyl)pyrrolidine (113385-33-4) + 3-aminoindazole (874-05-5) → (1H-Indazol-3-yl)-(3-pyrrolidin-1-yl-propyl)-amine (82819-13-4) + 1-(3-Pyrrolidin-1-yl-propyl)-1H-indazol-3-ylamine (113385-16-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 24h;

DOI:10.1248/cpb.35.2292

Reference yield: 8.0%

1-(3-bromopropyl)pyrrolidine (113385-33-4) + (+/-)-cis-N-(4-Chloro-phenyl)-N-[1-(4-hydroxy-benzoyl)-2-methyl-1,2,3,4-tetrahydro-quinolin-4-yl]-acetamide → (2S,4R)-N-(4-Chloro-phenyl)-N-{2-methyl-1-[4-(3-pyrrolidin-1-yl-propoxy)-benzoyl]-1,2,3,4-tetrahydro-quinolin-4-yl}-acetamide

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

upstream raw materials:

1-allyl-pyrrolidine

Downstream raw materials:

(1H-Indazol-3-yl)-(3-pyrrolidin-1-yl-propyl)-amine

1-(3-Pyrrolidin-1-yl-propyl)-1H-indazol-3-ylamine

C₃₃H₃₈Cl₂N₄O