4-(Pyrrolidin-3-yl)morpholine

Base Information

• Chemical Name: 4-(Pyrrolidin-3-yl)morpholine
• CAS No.: 53617-37-1
• Molecular Formula: C8H16N2O
• Molecular Weight: 156.2254
• Hs Code.: 2934999090
• European Community (EC) Number: 679-457-9
• ChEMBL ID: CHEMBL4527434
• DSSTox Substance ID: DTXSID70562382
• Mol file: 53617-37-1.mol

Synonyms:4-(pyrrolidin-3-yl)morpholine;53617-37-1;4-Pyrrolidin-3-ylmorpholine;4-(3-Pyrrolidinyl)morpholine;4-Pyrrolidin-3-yl morpholine;4-Pyrrolidin-3-yl-morpholine;4-(3R)-3-Pyrrolidinyl-morpholine;(S)-4-(pyrrolidin-3-yl)morpholine;MFCD06740352;4-3-Pyrrolidinylmorpholine;SCHEMBL1485038;CHEMBL4527434;DTXSID70562382;OPJDRNMJJNFSNZ-UHFFFAOYSA-N;AKOS004121473;AKOS016346171;AB64194;AB64197;PS-5424;A7801;AM20100320;CS-0069580;EN300-68735;Q-103564;Z975915366

Chemical Property of 4-(Pyrrolidin-3-yl)morpholine

Chemical Property:

• Vapor Pressure: 0.036mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 241.615 °C at 760 mmHg
• PKA: 10.11±0.10(Predicted)
• Flash Point: 99.925 °C
• PSA: 24.50000
• Density: 1.063 g/cm³
• LogP: -0.05280
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.126263138
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

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

4-Pyrrolidin-3-yl morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC1N2CCOCC2
• Uses: 4-(3-Pyrrolidinyl)morpholine is used as pharmaceutical intermediate.

Technology Process of 4-(Pyrrolidin-3-yl)morpholine

There total 2 articles about 4-(Pyrrolidin-3-yl)morpholine 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: 44.0%

(S)-1-tosyl-3-morpholinopyrrolidine (216669-62-4) → (S)-3-morpholinopyrrolidine (511295-94-6,53617-37-1,216669-67-9)

Guidance literature:

With sodium; tert-butyl alcohol; In tetrahydrofuran; ammonia; at -70 ℃;

DOI:10.1021/jo9810260

Reference yield:

tert-butyl 3-morpholinopyrrolidine-1-carboxylate → 4-(pyrrolidin-3-yl)morpholine (511295-94-6,53617-37-1,216669-67-9)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 23 ℃;

DOI:10.1016/j.bmcl.2017.05.016

upstream raw materials:

(S)-1-tosyl-3-morpholinopyrrolidine

Refernces

• 1、 Liang, Jun,Labadie, Sharada,Zhang, Birong,Ortwine, Daniel F.,Patel, Snahel,Vinogradova, Maia,Kiefer, James R.,Mauer, Till,Gehling, Victor S.,Harmange, Jean-Christophe,Cummings, Richard,Lai, Tommy,Liao, Jiangpeng,Zheng, Xiaoping,Liu, Yichin,Gustafson, Amy,Van der Porten, Erica,Mao, Weifeng,Liederer, Bianca M.,Deshmukh, Gauri,An, Le,Ran, Yingqing,Classon, Marie,Trojer, Patrick,Dragovich, Peter S.,Murray, Lesley. "From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors". supporting information. p. 2974 - 2981. Retrieved 2017/05/31.