DL-2,4-Diaminobutyric acid dihydrochloride

Base Information

• Chemical Name: DL-2,4-Diaminobutyric acid dihydrochloride
• CAS No.: 1883-09-6
• Deprecated CAS: 6970-28-1
• Molecular Formula: C4H10N2O2^.2(HCl)
• Molecular Weight: 191.057
• Hs Code.: 29224999
• European Community (EC) Number: 265-774-6
• DSSTox Substance ID: DTXSID50886770
• Mol file: 1883-09-6.mol

Synonyms:65427-54-5;DL-2,4-Diaminobutyric acid dihydrochloride;2,4-diaminobutanoic acid dihydrochloride;H-DL-Dab.2HCl;Butanoic acid, 2,4-diamino-, dihydrochloride;D-2,4-Diaminobutyric acid dihydrochloride;Dl-2,4-diaminobutyric acid diHCl;MFCD00012910;2,4-diaminobutanoic acid;dihydrochloride;Butanoic acid, 2,4-diamino-, hydrochloride (1:2);EINECS 265-774-6;NSC 41117;2,4-diaminobutyric acid dihydrochloride;MFCD00064561;H-D-Dab-OH.2HCl;H-D-Dab-OH hydrochloride salt;C4-H10-N2-O2.2Cl-H;EINECS 217-542-0;MFCD00236954;DL-Daba-OH.2HCl;DL-DAB 2HCl;SCHEMBL318747;2,4-Diaminobutyric acid 2HCl;DTXSID50886770;CKAAWCHIBBNLOJ-UHFFFAOYSA-N;FD1073;AKOS005146492;CS-W010735;DS-1791;AC-23758;SY005640;SY005641;SY005642;2,4-bis(azanyl)butanoic acid dihydrochloride;AM20100596;D1175;FT-0604663;FT-0605136;FT-0625384;FT-0655553;D-1080;D-1150;EN300-296225;M03239;(2R)-2,4-diaminobutanoic acid dihydrochloride;A818674;A835112

Chemical Property of DL-2,4-Diaminobutyric acid dihydrochloride

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 6.36E-05mmHg at 25°C
• Melting Point: 191-195 °C
• Refractive Index: 14.5 ° (C=3.6, H2O)
• Boiling Point: 321 °C at 760 mmHg
• Flash Point: 147.9 °C
• PSA: 89.34000
• LogP: 1.75170
• Storage Temp.: −20°C
• Solubility.: water: soluble0.5g/10 mL
• Water Solubility.: very faint turbidity
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 190.0275830
• Heavy Atom Count: 10
• Complexity: 84.1

Purity/Quality:

99% ^*data from raw suppliers

L-2,4-Diaminobutyric acid dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-36/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CN)C(C(=O)O)N.Cl.Cl
• Uses: A pharmacological tool and potential chiral building block. It is also used as an internal standard for amino acid analysis. Also found to inhibit GABA transaminase, thus producing an elevation of GABA level, and to have an antitumor activity in vitro and in vivo against mouse fibrosarcoma cells. L-2,4-Diaminobutyric Acid dihydrochloride is a pharmacological tool and potential chiral building block. 2,4-Diaminobutyric Acid is also used as an internal standard for amino acid analysis. 2,4-Diaminobutyric Acid i s also found to inhibit GABA transaminase, thus producing an elevation of GABA level, and to have an antitumor activity in vitro and in vivo against mouse fibrosarcoma cells. L-2,4-Diaminobutyric acid dihydrochloride is suitable reagent used for the differentiation of β-N-methylamino-L-alanine from the diamino acids by using HPLC-FD, UHPLC-UV, UHPLC-MS, and triple quadrupole tandem mass spectrometry (UHPLC-MS/MS). It is suitable reagent used in the quantification of neurotoxin β-N-methylamino-L-alanine (BMAA) in seafood. It may be used as Internal standard for amino acid analysis

Technology Process of DL-2,4-Diaminobutyric acid dihydrochloride

There total 4 articles about DL-2,4-Diaminobutyric acid dihydrochloride 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

(S)-3-(N-Tritylamino)-2-pyrrolidon

Downstream raw materials:

N^α,N^γ-diBoc-L-2,4-diaminobutyric acid p-nitrobenzyl ester

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

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

(3S)-3-aminopyrrolidin-2-one

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.