CAS No.7389-87-9,Methyl L-histidinate dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7389-87-9
Name:	Methyl L-histidinate dihydrochloride
Article Data:	35

Formula:	C₇H₁₁N₃O₂^.2(HCl)
Molecular Weight:	242.105
Synonyms:	Histidine,methyl ester, dihydrochloride, L- (6CI,7CI,8CI);L-Histidine, methyl ester,dihydrochloride (9CI);(S)-Histidine methyl ester dihydrochloride;Histidinemethyl ester dihydrochloride;NSC 522221;L-Histidine,methyl ester, hydrochloride (1:2);
EINECS:	230-973-9
Melting Point:	207 °C (dec.)(lit.)
Boiling Point:	368.2 °C at 760 mmHg
Flash Point:	176.5 °C
Solubility:	Soluble in dimethyl sulfoxide, methanol and water.
Appearance:	Crystalline
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	81.00000
LogP:	1.75680

Synthetic route

: 67-56-1
methanol

: 71-00-1
L-histidine

: 7389-87-9
L-histidine methyl ester dihydrochloride

Conditions

Conditions	Yield
With thionyl chloride at 25 - 30℃; for 0.666667h; microwave irradiation;	94%
With thionyl chloride for 48h; Ambient temperature;	82%
With thionyl chloride for 48h; Heating;	81%

: 67-56-1
methanol

: 645-35-2
L-histidine monohydrochloride

: 7389-87-9
L-histidine methyl ester dihydrochloride

Conditions

Conditions	Yield
With sulfuric acid for 2.5h; Heating;	43%

: C25H34P2O8*C6H9N3O2CH2

A: 7389-87-9
L-histidine methyl ester dihydrochloride

B: dilithium bis(5,5'-ethylphosphonato)-6,6'-dihydroxy-3,3,3',3'-tetramethyl-1,1'-spiro-bisindane

Conditions

Conditions	Yield
With lithium chloride In water; dimethyl sulfoxide at 20℃; Equilibrium constant; dissociation;

: C9H8C25H34P2O8*2C7H11N3O2

A: 7389-87-9
L-histidine methyl ester dihydrochloride

B: dilithium bis(5,5'-ethylphosphonato)-6,6'-(2,4,5-trimethyl-1,3-benzyloxy)-3,3,3',3'-tetramethyl-1,1'-spiro-bisindane

Conditions

Conditions	Yield
With lithium chloride In water; dimethyl sulfoxide at 20℃; Equilibrium constant; dissociation;

: 501-53-1
benzyl chloroformate

: 7389-87-9
L-histidine methyl ester dihydrochloride

: 15545-10-5
Nα-Z-His-OMe

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 0.5h; Ambient temperature;	92.7%

: 3391-99-9
N-Z-L-isoleucine N-hydroxysuccinimide ester

: 7389-87-9
L-histidine methyl ester dihydrochloride

: N-benzilossicarbonil-isoleucil-istidina-metilestere

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide for 72h; Ambient temperature;	90%

: 7389-87-9
L-histidine methyl ester dihydrochloride

: 13961-95-0
Bis-N-benzyloxycarbonyl cystine di p-nitrophenyl ester

: 17607-25-9
Bis-N-benzyloxycarbonyl cystinyl di-histidine methyl ester

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide for 48h; Ambient temperature;	89%

: 7389-87-9
L-histidine methyl ester dihydrochloride

: 74-89-5
methylamine

: 86541-64-2
(2S)-2-amino-3-(1H-imidazol-4-yl)-N-methylpropanamide

Conditions

Conditions	Yield
In ethanol at 20℃; for 24h;	89%

: 7389-87-9
L-histidine methyl ester dihydrochloride

: C28H32N4O6S

: C35H41N7O7S

Conditions

Conditions	Yield
With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide In tetrahydrofuran at 0 - 20℃; for 11h;	88%

: Z-Lys(Boc)-ONSu

: 7389-87-9
L-histidine methyl ester dihydrochloride

: Z-Lys(Boc)-His-OMe

Conditions

Conditions	Yield
With triethylamine In chloroform at 20℃; for 48h;	86%

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Specification

Methyl L-histidinate dihydrochloride is an organic compound with the formula C₇H₁₁N₃O₂^.2(HCl), and its systematic name is the same with the product name. With the CAS registry number 7389-87-9, it is also named as L-Histidine,methyl ester, hydrochloride (1:2). It belongs to the product categories of Amino Acids; Histidine [His, H]; Amino Acids and Derivatives; Amino Acid Methyl Esters; Amino Acids (C-Protected);Biochemistry; Amino hydrochloride; Histidine; Peptide Synthesis; Non-natural amino acids; Amino Acids & Derivatives; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 230-973-9. In addition, the molecular weight is 242.10. This chemical is used in the preparation of optically pure L-(+)-Ergothioneine. It should be sealed and stored in a cool and dry place.

Physical properties of Methyl L-histidinate dihydrochloride are: (1)ACD/LogP: -1.114; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.57; (4)ACD/LogD (pH 7.4): -1.53; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.29; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 47.36 Å²; (13)Flash Point: 176.5 °C; (14)Enthalpy of Vaporization: 61.49 kJ/mol; (15)Boiling Point: 368.2 °C at 760 mmHg; (16)Vapour Pressure: 1.29E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. You should not breathe dust. When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.O=C(OC)[C@@H](N)Cc1cncn1
(2)Std. InChI: InChI=1S/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3-4,6H,2,8H2,1H3,(H,9,10);2*1H/t6-;;/m0../s1
(3)Std. InChIKey: DWAYENIPKPKKMV-ILKKLZGPSA-N