2,4-Diaminobutanoic acid hydrochloride

Base Information

• Chemical Name: 2,4-Diaminobutanoic acid hydrochloride
• CAS No.: 6970-28-1
• Molecular Formula: C4H10N2O2.2ClH
• Molecular Weight: 191.057
• Hs Code.: 2922499990
• ChEMBL ID: CHEMBL1986815
• NSC Number: 41117
• Mol file: 6970-28-1.mol

Synonyms:2,4-Diaminobutanoic acid hydrochloride;19391-83-4;a:b-Diaminopropionic acid hydrochloride;2,4-diaminobutanoic acid;hydrochloride;NSC41117;6970-28-1;L-Dab-OH⋅HCl;NSC-41117;SCHEMBL2398999;CHEMBL1986815;2,4-Diaminobutanoicacidhydrochloride;AKOS022185366;Butanoic acid,4-diamino-, dihydrochloride;(2S)-2,4-diaminobutanoic acid, chloride;(S)-2,4-Diaminobutyric acid hydrochloride

Chemical Property of 2,4-Diaminobutanoic acid hydrochloride

Chemical Property:

• Vapor Pressure: 6.36E-05mmHg at 25°C
• Boiling Point: 321oC at 760 mmHg
• Flash Point: 147.9oC
• PSA: 89.34000
• Density: 1.218g/cm3
• LogP: 0.94970
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 154.0509053
• Heavy Atom Count: 9
• Complexity: 84.1

Purity/Quality:

99% ^*data from raw suppliers

(R)-2,4-DIAMINOBUTANOIC ACID DIHYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)C(C(=O)O)N.Cl

Technology Process of 2,4-Diaminobutanoic acid hydrochloride

There total 3 articles about 2,4-Diaminobutanoic 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: 89.0%

Nα,Nγ-bis(t-butoxycarbonyl)-L-α,γ-butyric acid (34404-27-8,752986-92-8) → (S)-2,4-diaminobutyric acid dihydrochloride (1482-98-0,1883-09-6,6970-28-1,19391-83-4,26889-08-7,40149-78-8,57538-26-8,65427-54-5,66837-03-4,89700-93-6,101854-78-8,127531-11-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/j.tetlet.2006.11.033

Reference yield:

(S)-3-Cyano-2-[(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-bicyclo[3.1.1]hept-(3E)-ylideneamino]-propionic acid ethyl ester (127531-09-3,127531-10-6) → (S)-2,4-diaminobutyric acid dihydrochloride (1482-98-0,1883-09-6,6970-28-1,19391-83-4,26889-08-7,40149-78-8,57538-26-8,65427-54-5,66837-03-4,89700-93-6,101854-78-8,127531-11-7)

Guidance literature:

With hydrogenchloride; at 70 ℃; for 5h;

DOI:10.1016/S0040-4039(01)93841-9

Reference yield:

(R)-2,4-Diamino-butyric acid ethyl ester; hydrochloride (103668-08-2) → (R)-2,4-diaminobutyric acid dihydrochloride (1482-98-0,1883-09-6,6970-28-1,19391-83-4,26889-08-7,40149-78-8,57538-26-8,65427-54-5,66837-03-4,89700-93-6,101854-78-8,127531-11-7)

Guidance literature:

With hydrogenchloride; at 70 ℃; for 5h;

DOI:10.1016/S0040-4039(01)93841-9

upstream raw materials:

(S)-3-Cyano-2-[(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-bicyclo[3.1.1]hept-(3E)-ylideneamino]-propionic acid ethyl ester

N^α,N^γ-bis(t-butoxycarbonyl)-L-α,γ-butyric acid

(R)-2,4-Diamino-butyric acid ethyl ester; hydrochloride

Downstream raw materials:

(S)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-aminobutanoic acid

3-amino-pyrrolidin-2-one

(R)-2,4-bis((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid

(S)-2,4-bis(((benzyloxy)carbonyl)amino)butanoic acid

Refernces

• 1、 Solladie-Cavallo, A.,Simon, M. C.. "ENANTIOSELECTIVE SYNTHESIS OF OPTICALLY PURE NATURAL S(+) OR UNNATURAL R(-) DABA". . p. 6011 - 6014. Retrieved 2007/10/02.