3-Methoxypyrrolidine

Base Information

• Chemical Name: 3-Methoxypyrrolidine
• CAS No.: 62848-20-8
• Molecular Formula: C5H11NO
• Molecular Weight: 101.148
• Hs Code.: 2933998090
• European Community (EC) Number: 842-414-1,871-935-7
• DSSTox Substance ID: DTXSID60463233
• Mol file: 62848-20-8.mol

Synonyms:3-methoxypyrrolidine;62848-20-8;3-Methoxy-pyrrolidine;MFCD07787006;Pyrrolidine, 3-methoxy-;MFCD09953438;MFCD09953439;SCHEMBL321509;(racemic)-3-methoxypyrrolidine;SCHEMBL13088404;3-methoxypyrrolidine, AldrichCPR;DTXSID60463233;BWRWNUQAQPAYCK-UHFFFAOYSA-N;AKOS005146207;PB10788;PB26535;SB10138;AS-38065;SY043121;SY056981;SY056982;A8681;AM20100541;CS-0039937;FT-0648356;FT-0682237;FT-0684722;EN300-179292;J-512805;F8881-0669

Chemical Property of 3-Methoxypyrrolidine

Chemical Property:

• Vapor Pressure: 13.6mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 122.9 °C at 760 mmHg
• Flash Point: 35.2 °C
• PSA: 21.26000
• Density: 0.94 g/cm³
• LogP: 0.32350
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 101.084063974
• Heavy Atom Count: 7
• Complexity: 56

Purity/Quality:

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

3-methoxypyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1CCNC1

Technology Process of 3-Methoxypyrrolidine

There total 3 articles about 3-Methoxypyrrolidine 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: 87.0%

3-Methoxy-pyrrolidine-1-carboxylic acid tert-butyl ester (146257-03-6) → 3-methoxy-pyrrolidine (62848-20-8)

Guidance literature:

3-Methoxy-pyrrolidine-1-carboxylic acid tert-butyl ester; With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 18h;

In methanol; at 20 ℃; for 2h; Amberjet 4000 ion-exchange resin;

Reference yield:

(+/-)-3-methoxypyrrolidine hydrochloride (136725-50-3) → 3-methoxy-pyrrolidine (62848-20-8)

Guidance literature:

With sodium carbonate; In water;

Reference yield:

→ 3-methoxy-pyrrolidine (62848-20-8)

Guidance literature:

upstream raw materials:

3-Methoxy-pyrrolidine-1-carboxylic acid tert-butyl ester

(+/-)-3-methoxypyrrolidine hydrochloride

Downstream raw materials:

1-(3-bromophenyl)-3-methoxypyrrolidine

Refernces

• 1、 -. "NEW BRADYKININ B1 ANTAGONISTS". Page/Page column 201. . Retrieved 2010/04/03.
• 2、 -. "1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF". Page/Page column 88. . Retrieved 2010/11/27.