Butyl aminoacetate hydrochloride

Base Information

• Chemical Name: Butyl aminoacetate hydrochloride
• CAS No.: 13048-99-2
• Molecular Formula: C6H14ClNO2
• Molecular Weight: 167.636
• Hs Code.: 2922499990
• European Community (EC) Number: 235-924-5
• DSSTox Substance ID: DTXSID7065338
• Mol file: 13048-99-2.mol

Synonyms:13048-99-2;Butyl aminoacetate hydrochloride;butyl 2-aminoacetate hydrochloride;Glycine, butyl ester, hydrochloride;GLYCINE N-BUTYL ESTER HYDROCHLORIDE;butyl 2-aminoacetate;hydrochloride;EINECS 235-924-5;Glycine, butyl ester, hydrochloride (1:1);2-Amino-4chlorobenzamide;SCHEMBL523365;DTXSID7065338;GLYCINE N-BUTYL ESTER HCl;2-Butoxy-2-oxoethanaminium chloride;MFCD00151824;AKOS008104997;glycine n-butyl ester hydrochloride salt;Glycine,butyl ester,hydrochloride(1:1);AS-76245;Glycine, butyl ester,hydrochloride (1:1);FT-0626761;EN300-71524;F52077;Glycine N-butyl ester hydrochloride, AldrichCPR;Z1266823221

Chemical Property of Butyl aminoacetate hydrochloride

Chemical Property:

• Vapor Pressure: 2.55mmHg at 25°C
• Melting Point: 64-66°C
• Boiling Point: 159.1 °C at 760 mmHg
• Flash Point: 33.3 °C
• PSA: 52.32000
• Density: 0.973g/cm³
• LogP: 1.79070
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 167.0713064
• Heavy Atom Count: 10
• Complexity: 83.1

Purity/Quality:

98%Min ^*data from raw suppliers

ButylAminoacetatehydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CN.Cl

Technology Process of Butyl aminoacetate hydrochloride

There total 1 articles about Butyl aminoacetate hydrochloride 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:

2-aminoethanoic acid hydrochloride (6000-43-7) + butan-1-ol (71-36-3) → glycine n-butyl ester hydrochloride (13048-99-2)

Guidance literature:

With thionyl chloride; at 70 ℃;

Reference yield: 83.6%

glycine n-butyl ester hydrochloride (13048-99-2) + Cinnamic acid (621-82-9) → butyl N-[3-phenyl-1-oxo-2-propen-1-yl] glycinate

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 0 - 18 ℃; for 18h;

DOI:10.1016/j.foodchem.2012.03.021

Reference yield: 52.0%

1-acetyl-1H-indole-2,3-dione (574-17-4) + glycine n-butyl ester hydrochloride (13048-99-2) → C16H20N2O5

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 5 ℃;

DOI:10.1039/c2ce25994j

upstream raw materials:

2-aminoethanoic acid hydrochloride

butan-1-ol

Downstream raw materials:

1-butyl diazoacetate

butyl-2-isocyanatoacetate

Isothiocyanato-acetic acid butyl ester

Refernces

• 1、 -. "Crystalline forms of an HIV integrase inhibitor". Page/Page column 8. . Retrieved 2008/12/08.
• 2、 -. "HIV INTEGRASE INHIBITORS". Page/Page column 43-44. . Retrieved 2008/06/13.