N-methyl-N-pentyl-beta-alanine methyl ester

Base Information Edit

Chemical Name:N-methyl-N-pentyl-beta-alanine methyl ester
CAS No.:744266-99-7
Molecular Formula:C₁₀H₂₁NO₂
Molecular Weight:187.282
Hs Code.:
European Community (EC) Number:616-093-1,938-104-1
DSSTox Substance ID:DTXSID801274858
Mol file:744266-99-7.mol

Synonyms:744266-99-7;N-methyl-N-pentyl-beta-alanine methyl ester;Methyl 3-(methyl(pentyl)amino)propanoate;methyl 3-[methyl(pentyl)amino]propanoate;methyl 3-(n-methyl-n-pentylamino)propanoate;SCHEMBL1120139;ZWKFEVVFVAGPDE-UHFFFAOYSA-N;DTXSID801274858;BCP18827;Methyl 3-(N-Methylpentylamino)propionate;DB-360734;N-Methyl-N-pentyl-I(2)-alanine methyl ester;G65200

Suppliers and Price of N-methyl-N-pentyl-beta-alanine methyl ester

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 25 raw suppliers

Chemical Property of N-methyl-N-pentyl-beta-alanine methyl ester Edit

Chemical Property:

Boiling Point:236℃
PKA:8.32±0.50(Predicted)
Flash Point:77℃
PSA：29.54000
Density:0.916
LogP:1.67150
Storage Temp.:Refrigerator, under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:187.157228913
Heavy Atom Count:13
Complexity:137

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

Canonical SMILES:CCCCCN(C)CCC(=O)OC
Uses Methyl 3-(Methyl(pentyl)amino)propanoate is a useful intermediate used in the synthesis of sodium Ibandronate (I120000).

Technology Process of N-methyl-N-pentyl-beta-alanine methyl ester

There total 2 articles about N-methyl-N-pentyl-beta-alanine methyl ester 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: 96.1%