• Name

  THIAMINE MONOPHOSPHATE CHLORIDE

• EINECS 208-536-9
• CAS No. 532-40-1
• Density 1.53[at 20℃]
• Solubility 176g/L at 20℃
• Melting Point ~200°
• Formula C₁₂H₁₈N₄O₄PS.Cl
• Boiling Point
• Molecular Weight 380.792
• Flash Point
• Transport Information
• Appearance
• Safety
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms Phosphoricacid, thiamine ester (6CI);Thiamine, dihydrogen phosphate (ester) (8CI);Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-,chloride (9CI);Thiamine monophosphate chloride;Neurifosforil;Novaneurina;Phosphothiamine;Superneurina;Thiamin monophosphate;Thiaminephosphoric acid ester chloride;
• PSA 160.49000
• LogP -1.69010

Synthetic route

3475-65-8

thiamine triphosphate

532-40-1

thiamine monophosphate chloride

Conditions

Conditions	Yield
With barium dihydroxide

67-03-8

Thiamine hydrochloride

532-40-1

thiamine monophosphate chloride

Conditions

Conditions	Yield
With sodium pyrophosphate; pyrophosphoric acid
Stage #1: Thiamine hydrochloride With sodium pyrophosphate at 120℃; Stage #2: With tributyl-amine In chloroform at 25℃;	862 g

154-87-0

thiamine diphosphate

532-40-1

thiamine monophosphate chloride

Conditions

Conditions	Yield
With sulfuric acid

2908-71-6, 5423-98-3, 31933-50-3

4-Amino-2-methyl-5-bromomethylpyrimidine dihydrobromide

4066-52-8, 4394-24-5

phosphoric acid mono-[2-(4-methyl-thiazol-5-yl)-ethyl] ester; disodium salt

532-40-1

thiamine monophosphate chloride

Conditions

Conditions	Yield
(i) , (ii) ion exchange resin, Cl-; Multistep reaction;

67-03-8

Thiamine hydrochloride

A

532-40-1

thiamine monophosphate chloride

B

154-87-0

thiamine diphosphate

Conditions

Conditions	Yield
With sodium pyrophosphate at 120℃;

59-43-8

vitamin B1

532-40-1

thiamine monophosphate chloride

Conditions

Conditions	Yield
With polyphosphoric acid at 100 - 120℃; for 4h; Temperature;

tetra[μ-acetato-bis(methanol)]dirhodium

532-40-1

thiamine monophosphate chloride

Rh(2+)*2CH3COO(1-)*CH3C4N2H(NH2)CH2NC3SH(CH3)CH2CH2OPO3H=RhC16H23N4O8PS

Conditions

Conditions	Yield
With NaOH; H2O In water soln. of (Rh2(AcO)4)*2MeOH in hot (80°C) water and thiamin monophosphate chloride in water mixed, pH adusted to 6 with NaOH soln.; soln.allowed to stand for 1 day at room temp., crystn.; crystals filtered off, washed with water and air-dried; elem. anal.;	67%

7732-18-5

water

532-40-1

thiamine monophosphate chloride

10108-64-2

cadmium(II) chloride

C12H18N4O4PS(1+)*0.5CdCl4(2-)*2H2O

Conditions

Conditions	Yield
In methanol at 20℃; for 168h;	60.3%

...Expand

532-40-1

thiamine monophosphate chloride

79060-88-1

sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate

C12H18N4O4PS(1+)*C32H12BF24(1-)

Conditions

Conditions	Yield
In water; acetonitrile at 0℃; for 24h;	55%

3475-65-8

thiamine triphosphate

532-40-1

thiamine monophosphate chloride

154-87-0

thiamine diphosphate

thiamine monophosphate

Conditions

Conditions	Yield
In water

...Expand

7732-18-5

water

532-40-1

thiamine monophosphate chloride

mercury dibromide

CH3C4HNH2N2CH2C3HCH3NSCH2CH2OPO3H2(1+)*2Hg(2+)*5Br(1-)*0.5H2O=CH3C4HN2NH2CH2C3HCH3SNCH2CH2OPO3H2Hg2Br5*0.5H2O

Conditions

Conditions	Yield
In ethanol; water HgBr2 in EtOH was added to soln. of ligand in water, pH 4, allowed to stand at room temp.; elem. anal.;

...Expand

potassium tetraiodomercurate(II)

532-40-1

thiamine monophosphate chloride

2CH3C4HNH2N2CH2C3HCH3NSCH2CH2OPO3H2(1+)*3Hg(2+)*8I(1-)=(CH3C4HN2NH2CH2C3HCH3SNCH2CH2OPO3H2)2Hg3I8

Conditions

Conditions	Yield
In methanol; water soln. of ligand in water was added to K2HgI4 in MeOH; filtered, dissolved in hot water (55°C), allowed to stand at roomtemp. pH 4; elem. anal.;

potassium tetranitroplatinate(IV)

532-40-1

thiamine monophosphate chloride

(thiamine)2[Pt(NO2)4]*2H2O

Conditions

Conditions	Yield
In water pH about 4; crystd. at room temp. for hours;

532-40-1

thiamine monophosphate chloride

C12H18N4O4PS(1+)*NO3(1-)

Conditions

Conditions	Yield
With cobalt(II) nitrate hexahydrate In methanol; water at 20℃; for 168h;

532-40-1

thiamine monophosphate chloride

cucurbit[7]uril

C12H18N4O4PS(1+)*C42H42N28O14

Conditions

Conditions	Yield
In water at 20℃;

532-40-1

thiamine monophosphate chloride

C12H18N4O5PS(1-)*Na(1+)

Conditions

Conditions	Yield
With sodium hydroxide In water at 0 - 5℃; pH=9 - 11; pH-value;

532-40-1

thiamine monophosphate chloride

1711-05-3

m-anisoyl chloride

(Z)-S-(2-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)-5-(phosphonooxy)pent-2-en-3-yl)3-methoxybenzothioate

Conditions

Conditions	Yield
Stage #1: thiamine monophosphate chloride With sodium hydroxide In water at 0 - 5℃; for 1.5h; pH=11 - 12; Stage #2: m-anisoyl chloride In water at 0 - 10℃; for 2h; pH=11 - 12;	11 g
Stage #1: thiamine monophosphate chloride With sodium hydroxide In water at 0 - 5℃; for 1.5h; pH=11-12; Stage #2: m-anisoyl chloride In water at 0 - 10℃; for 2h; pH=11-12;	11 g

Reaxys ID: 33945762

Reaxys ID: 33945762

532-40-1

thiamine monophosphate chloride

Reaxys ID: 33945761

Reaxys ID: 33945761

Reaxys ID: 37389399

Reaxys ID: 37389399

532-40-1

thiamine monophosphate chloride

Reaxys ID: 37389398

Reaxys ID: 37389398

Monophosphothiamine Specification