4-(Dimethylamino)butanoic acid hydrochloride

Base Information

• Chemical Name: 4-(Dimethylamino)butanoic acid hydrochloride
• CAS No.: 69954-66-1
• Molecular Formula: C6H13 N O2 . Cl H
• Molecular Weight: 167.636
• Hs Code.: 2922499990
• European Community (EC) Number: 629-379-6
• DSSTox Substance ID: DTXSID50507054
• NSC Number: 165617
• Mol file: 69954-66-1.mol

Synonyms:69954-66-1;4-(dimethylamino)butanoic acid hydrochloride;4-Dimethylaminobutyric Acid Hydrochloride;4-(Dimethylamino)butyric acid hydrochloride;MFCD00012613;4-(dimethylamino)butanoic acid;hydrochloride;4-Dimethylaminobutyric acid HCl;4-(dimethylamino) butyric acid hydrochloride;4-(Dimethylamino)-butanoic acid HCl;Butanoic acid, 4-(dimethylamino)-, hydrochloride;SCHEMBL246147;DTXSID50507054;RDTALXUBMCLWBB-UHFFFAOYSA-N;AMY31363;GEO-02674;NSC165617;AKOS009156978;CS-W007989;NSC-165617;4-(Dimethylamino) butyric acid HCl salt;4-(dimethylamino)butanoicacidhydrochloride;4-dimethylamino-butyric acid hydrochloride;DS-15319;SY058453;4-(dimethylamino)-butyric acid hydrochloride;FT-0641262;EN300-42520;4-dimethylamino-butyric acid hydrochloride salt;F14882;3-carboxy-N,N-dimethyl-1-propanaminium chloride;4-(dimethylamino)butanoic acid hydrochloride salt;4-(dimethylamino)butyric acid hydrochloride salt;4-(Dimethylamino)butyric acid hydrochloride, 98%;A836710;4-(Dimethylamino)butanoic acid--hydrogen chloride (1/1);Z432066916

Chemical Property of 4-(Dimethylamino)butanoic acid hydrochloride

Chemical Property:

• Appearance/Colour: white granular crystalline powder
• Melting Point: 153-155 °C(lit.)
• PSA: 40.54000
• LogP: 1.21480
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 167.0713064
• Heavy Atom Count: 10
• Complexity: 91.1

Purity/Quality:

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

4-(Dimethylamino)butyric acid hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)CCCC(=O)O.Cl
• Uses: 4-Dimethylaminobutyric acid hydrochloride is used as pharmaceutical intermediates.

Technology Process of 4-(Dimethylamino)butanoic acid hydrochloride

There total 7 articles about 4-(Dimethylamino)butanoic 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: 100.0%

ethyl N,N-dimethyl-4-aminobutanoate (22041-23-2) → 4-(dimethylamino)butyric acid hydrochloride (69954-66-1)

Guidance literature:

With hydrogenchloride; In water; for 18h; Reflux;

DOI:10.1016/j.tet.2011.12.030

Reference yield: 73.0%

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 4-(dimethylamino)butyric acid hydrochloride (69954-66-1)

Guidance literature:

1-methyl-pyrrolidin-2-one; With sodium hydroxide; In water; for 10h; Heating;

formaldehyd; With formic acid; In water; for 8h; Heating;

With hydrogenchloride; In water;

DOI:10.1021/ol060585n

Reference yield: 71.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + formic acid (64-18-6) + 4-amino-n-butyric acid (56-12-2) → 4-(dimethylamino)butyric acid hydrochloride (69954-66-1)

Guidance literature:

formaldehyd; formic acid; 4-amino-n-butyric acid; at 60 ℃; for 16h;

With hydrogenchloride;

DOI:10.3390/ijms21197431

upstream raw materials:

formaldehyd

4-(methylamino)butyric acid hydrochloride

1-methyl-pyrrolidin-2-one

ethyl N,N-dimethyl-4-aminobutanoate

Downstream raw materials:

4-(dimethylamino)-1-phenylbutan-1-one

γ-butyrobetaine hydrochloride

6-(3-dimethylamino-propyl)-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

[4-chloro-2-[[5-[4-(trifluoromethyl)phenyl]-2,3-dihydro-2-oxo-1,3,4-oxadiazol-3-yl]methyl]phenoxy]methyl-4-(dimethylamino)butyrate