3-(Methyl(pentyl)amino)propanoic acid hydrochloride

Base Information

• Chemical Name: 3-(Methyl(pentyl)amino)propanoic acid hydrochloride
• CAS No.: 625120-81-2
• Molecular Formula: C₉H₁₉NO₂*ClH
• Molecular Weight: 209.716
• Hs Code.: 2922498050
• UNII: E7FT72BUU1
• DSSTox Substance ID: DTXSID20587383
• Mol file: 625120-81-2.mol

Synonyms:625120-81-2;3-(methyl(pentyl)amino)propanoic acid hydrochloride;3-(n-methylpentylamino)propionic acid hydrochloride;Ibanic Acid Hydrochloride;3-[methyl(pentyl)amino]propanoic acid hydrochloride;3-(N-Methylpentylamino)propionic acid HCl;3-[methyl(pentyl)amino]propanoic acid;hydrochloride;E7FT72BUU1;b-Alanine, N-methyl-N-pentyl-, hydrochloride;MFCD08275216;3-(N-Methylpentylamino)propionic acid, HCl;Ibandronate Intermediate;3-(N-Methyl-N-pentylamino)propionic Acid Hydrochloride;YDWXRULMHQZBEX-UHFFFAOYSA-N;UNII-E7FT72BUU1;3-(N-Methylpentylamino)propionicacidhydrochloride;SCHEMBL369126;DTXSID20587383;BCP13803;AKOS015900387;AC-25861;AS-15812;SY104810;3-(Methyl(pentyl)amino)propanoic acid HCl;n-methyl-n-pentyl-beta-alaninehydrochloride;3-(N-Methylpentylamino) Propionic Acid HCl;A8641;CS-0152136;N-methyl-N-pentyl-beta-alanine hydrochloride;D81790;EN300-6481907;J-510919;3-(N-Methyl-N-pentylamino)propanoic acid hydrochloride;beta-Alanine, N-methyl-N-pentyl-, hydrochloride (1:1);Z1459932154;N-Methyl-N-pentyl-beta-alanine--hydrogen chloride (1/1);.BETA.-ALANINE, N-METHYL-N-PENTYL-, HYDROCHLORIDE (1:1);Ibanic acid hydrochloride;3-(N-Methyl-N-pentylamino)propionic Acid hydrochloride;beta-Alanine, N-methyl-N-pentyl-, hydrochloride (9CI);N-Methyl-N-pentyl-beta-alanine hydrochloride;Ibandronate Related Compound A as Hydrochloride

Chemical Property of 3-(Methyl(pentyl)amino)propanoic acid hydrochloride

Chemical Property:

• Vapor Pressure: 0.000102mmHg at 25°C
• Melting Point: 101-103°C
• Boiling Point: 299.2 °C at 760 mmHg
• Flash Point: 134.7 °C
• PSA: 40.54000
• LogP: 2.38510
• Storage Temp.: Refrigerator
• Solubility.: Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 209.1182566
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

99%min ^*data from raw suppliers

3-(N-Methyl-N-pentylamino)propionicAcidHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN(C)CCC(=O)O.Cl
• Uses: Ibandronate intermediate 3-(N-Methylpentylamino)propionic acid hydrochloride is an intermediate in the preparation of biphosphonate drugs used in the prevention and treatment of osteoporosis.

Technology Process of 3-(Methyl(pentyl)amino)propanoic acid hydrochloride

There total 4 articles about 3-(Methyl(pentyl)amino)propanoic acid 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: 85.0%

methyl 3-(N-methyl-N-pentylamino)propanoate (744266-99-7) → 3-(N-methyl-N-pentylamino) propionic acid hydrochloride (625120-81-2)

Guidance literature:

methyl 3-(N-methyl-N-pentylamino)propanoate; With propan-1-ol; sodium hydroxide; water; at 20 - 30 ℃; for 2h;

With sulfuric acid; water; In propan-1-ol;

With hydrogenchloride; In acetone;

Reference yield: 67.8%

N-methyl-N-pentyl-β-alanine ethyl ester (1095623-43-0) → 3-(N-methyl-N-pentylamino) propionic acid hydrochloride (625120-81-2)

Guidance literature:

N-methyl-N-pentyl-β-alanine ethyl ester; With water; at 98 - 100 ℃;

With hydrogenchloride; In water;

Reference yield:

3-(N-methyl-N-pentylamino)propionitrile → 3-(N-methyl-N-pentylamino) propionic acid hydrochloride (625120-81-2)

Guidance literature:

With hydrogenchloride; water; at 105 - 120 ℃; for 3 - 4h; Product distribution / selectivity; Heating / reflux;

upstream raw materials:

methyl 3-(N-methyl-N-pentylamino)propanoate

N-methyl-N-pentyl-β-alanine ethyl ester

Refernces

• 1、 -. "A NEW AND IMPROVED PROCESS FOR THE PREPARATION OF IBANDRONATE SODIUM MONOHYDRATE". Page/Page column 5; 9-10. . Retrieved 2009/09/05.
• 2、 -. "REAGENT AND USE THEREOF FOR THE PRODUCTION OF BISPHOSPHONATES". Page/Page column 10. . Retrieved 2008/12/05.