4-Morpholinobutanoic acid

Base Information

• Chemical Name: 4-Morpholinobutanoic acid
• CAS No.: 5807-09-0
• Molecular Formula: C8H15 N O3
• Molecular Weight: 173.212
• DSSTox Substance ID: DTXSID50206792
• Nikkaji Number: J41.773D
• Mol file: 5807-09-0.mol

Synonyms:4-Morpholinobutanoic acid;5807-09-0;4-morpholin-4-ylbutanoic acid;4-Morpholinebutanoic acid;4-Morpholinebutyric acid;4-(4-morpholinyl)butanoic acid;gamma-Morpholinobutyric acid;4-(morpholin-4-yl)butanoic acid;DF 533;BRN 0775904;4-Morpholinebutanoic acid (9CI);4-(Morpholin-4-Yl)Butanoic Acid Hydrochloride;4-Morpholinobutanoicacid;4-morpholinobutyric acid;EC-000.1991;SCHEMBL465026;4-Morpholin-4-yl-butyric acid;DTXSID50206792;TQP0304;BBL009374;DF-533;MFCD01714053;STK862562;AKOS000558071;NCGC00338895-01;BS-11751;LS-92508;4-Morpholin-4-ylbutanoic acid, AldrichCPR;BB 0219992;CS-0266428;EN300-316850;F79882;AB01331440-02

Chemical Property of 4-Morpholinobutanoic acid

Chemical Property:

• Vapor Pressure: 5.25E-05mmHg at 25°C
• Boiling Point: 323.7°Cat760mmHg
• PKA: 4.41±0.10(Predicted)
• Flash Point: 149.6°C
• PSA: 49.77000
• Density: 1.126g/cm³
• LogP: 0.12130
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

98% ^*data from raw suppliers

4-morpholin-4-ylbutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CCCC(=O)O

Technology Process of 4-Morpholinobutanoic acid

There total 3 articles about 4-Morpholinobutanoic acid 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: 67.0%

3-morpholin-4-ylpropionic acid ethyl ester (88217-57-6) → 4-(morpholin-4-yl)butanoic acid (5807-09-0)

Guidance literature:

3-morpholin-4-ylpropionic acid ethyl ester; With sodium hydroxide; at 100 ℃; for 16h;

With hydrogenchloride; In water; at 20 ℃; pH=4;

Reference yield:

methyl 4-morpholinobutanoate (5471-53-4) → 4-(morpholin-4-yl)butanoic acid (5807-09-0)

Guidance literature:

With water; In methanol; Alkaline conditions;

DOI:10.3390/molecules23112984

Reference yield:

→ 4-(morpholin-4-yl)butanoic acid (5807-09-0)

Guidance literature:

aus dem Hydrochlorid m. verd. NaOH in W. u. Extraktion d. Lsg. m. h. Chlf. und Eindampfen im Vakuum als Roh-Prod.;

DOI:10.1021/ja01474a024

upstream raw materials:

3-morpholin-4-ylpropionic acid ethyl ester

methyl 4-morpholinobutanoate

Downstream raw materials:

N-[2-({2-[(6-amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]-4-morpholin-4-ylbutanamide

4-morpholino-N-(3-(5-p-tolyl-1,3,4-oxadiazol-2-yl)phenyl)butanamide

Refernces

• 1、 Rodríguez-Lozada, Josué,Tovar-Gudi?o, Erika,Guevara-Salazar, Juan Alberto,Razo-Hernández, Rodrigo Said,Santiago, ángel,Pastor, Nina,Fernández-Zertuche, Mario. "QSAR and molecular docking studies of the inhibitory activity of novel heterocyclic GABA analogues over GABA-AT". . . Retrieved 2018/11/24.
• 2、 -. "3-UREIDOISOQUINOLIN-8-YL DERIVATIVES". Page/Page column 167. . Retrieved 2012/10/18.