CAS No.59-43-8,Thiamine chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59-43-8
Name:	Thiamine chloride
Article Data:	18

Formula:	C₁₂H₁₇ClN₄OS
Molecular Weight:	337.273
Synonyms:	VB1;Thiamine(8CI);Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-chloride (9CI);Aneurine;Apatate Drape;Beivon;Bethiamin;Oryzanin;Thiacoat;Thiamin;Thiamine monochloride;Vitamin B1;Vitaneurin;thiamine;3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride;
EINECS:	200-425-3
Density:	6 g/cm3
Melting Point:	125 °C
Appearance:	white fine powder
PSA:	104.15000
LogP:	-1.80710

Synthetic route

: 67-03-8
Thiamine hydrochloride

: 59-43-8
vitamin B1

Conditions

Conditions	Yield
With sodium hydroxide In ethanol	100%

: 299-35-4
3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazole-2-thione

: 59-43-8
vitamin B1

Conditions

Conditions	Yield
(i) aq. H2O2, (ii) aq. HCl; Multistep reaction;

: 22580-38-7
3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-2-hydroxymethyl-4-methyl-thiazolium; chloride monohydrochloride

: 59-43-8
vitamin B1

Conditions

Conditions	Yield
With hydrogenchloride

: 24912-08-1
[3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-3a-methyl-hexahydro-furo[2,3-d]thiazol-2-yl]-phenyl-methanone

: 59-43-8
vitamin B1

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; acetone Ambient temperature;

: 27350-85-2, 134876-54-3
2-(α-hydroxybenzyl)thiaminium chloride

A: 93-58-3
benzoic acid methyl ester

B: 59-43-8
vitamin B1

C: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With potassium hydroxide; oxygen In methanol Mechanism; and under aerobic conditions;

...Expand

: 67-56-1
methanol

: 27350-85-2, 134876-54-3
2-(α-hydroxybenzyl)thiaminium chloride

A: 93-58-3
benzoic acid methyl ester

B: 59-43-8
vitamin B1

Conditions

Conditions	Yield
With thymoquinone; sodium acetate; acetic acid Rate constant; var. conc. of quinone and buffer; var. quinones;
With oxygen; sodium acetate; acetic acid at 25℃; Mechanism; Rate constant;

...Expand

: 95-02-3
5-(aminomethyl)-2-methylpyrimidin-4-amine

: 59-43-8
vitamin B1

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) aq. NaOH, H2S, EtOH, (ii) /BRN= 126861/, (iii) /BRN= 1854721/ 2: aq. HCl / ethanol; acetone / Ambient temperature View Scheme

: 59-43-8
vitamin B1

: lithium 4,4,5,5,6,6-hexafluorodihydro-4H-1,3,2-dithiazine 1,1,3,3-tetraoxide

: C12H17N4OS(1+)*2C3F6NO4S2(1-)*H(1+)

Conditions

Conditions	Yield
With water In water at 20℃;	90%

: 59-43-8
vitamin B1

: 90076-65-6
bis(trifluoromethane)sulfonimide lithium

: C12H17N4OS(1+)*2C2F6NO4S2(1-)*H(1+)

Conditions

Conditions	Yield
With water at 20℃;	89%

: 59-43-8
vitamin B1

: N4-sulfamoylthiamine

Conditions

Conditions	Yield
With pyridine; sulfamate de pentachlorophenyle at 100℃; for 2h;	86%

Raw Materials

27350-85-2

299-35-4

67-56-1

95-02-3

67-03-8

Downstream Products

98-01-1

492-94-4

552-86-3

137-00-8

67633-97-0

2908-73-8

96-26-4

28588-74-1

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Specification

The Thiamine chloride, with the CAS registry number 59-43-8 and EINECS registry number 200-425-3, has the systematic name of 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride. It is also known as vitamin B1, and belongs to the following product categories: Vitamins and Derivatives; Nutritional Supplements; Vitamin Ingredients. And the molecular formula of this chemical is C₁₂H₁₇ClN₄OS.

The Thiamine chloride is a colorless compound, and it is stable at acidic pH, but is unstable in alkaline solutions. It is unstable to heat, but stable during frozen storage. It is also unstable when exposed to ultraviolet light and gamma irradiation. Thiamine chloride is soluble in water, methanol, and glycerol, but practically insoluble in acetone, ether, chloroform, and benzene.

The physical properties of Thiamine chloride are as following: (1)#H bond acceptors: 5; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 70.37 Å².

Preparation and uses of Thiamine chloride: It can be prepared by acetamidine hydrochloride and dimethoxy-β-α-methoxy propionitrile via a series of condensation, hydrolyzation, neutralization, oxidation and acidification. What's more, it is often used as feed additive. And it palys an important role in the normal activities of the digestive system and nerve conduction.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].n1c(c(cnc1C)C[n+]2c(c(sc2)CCO)C)N
(2)InChI: InChI=1/C12H17N4OS.ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
(3)InChIKey: MYVIATVLJGTBFV-REWHXWOFAY

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	multiple routes	214mg/kg/30W- (214mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 30, Pg. 407, 1995.
mouse	LD50	subcutaneous	301mg/kg (301mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 119, Pg. 444, 1957.