5-Mercapto-1H-tetrazole-1-acetic acid supplier

Name
5-Mercapto-1H-tetrazole-1-acetic acid
EINECS 260-884-0
CAS No. 57658-36-3
Article Data11
CAS DataBase
Density 1.99 g/cm³
Solubility
Melting Point 164 - 168oC
Formula C₃H₄N₄O₂ S
Boiling Point 284.7 °C at 760 mmHg
Molecular Weight 160.156
Flash Point 126 °C
Transport Information
Appearance White crystalline powder
Safety 22-36/37
Risk Codes 20/21/22-63
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(Carboxymethyl)-5-mercapto-1H-tetrazole;1-(Carboxymethyl)-5-mercaptotetrazole;1-Carboxymethyl-5-mercapto-1,2,3,4-tetrazole;1-Carboxymethyl-5-tetrazolethiol;5-Mercapto-1-tetrazolylacetic acid;5-Mercapto-1H-tetrazole-1-acetic acid;
PSA 119.70000
LogP -0.95360

Synthetic route

: 61197-32-8
N,N-dimethyl-2-(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetamide

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 81589-11-9
C6H12N4O2SSi

Conditions

Conditions	Yield
With <(C6H5O)PO>2NH In 1,2-dichloro-ethane for 1h; Heating;	98.5%

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 2-(5-sulfanyl-1H-1,2,3,4-tetrazol-1-yl)acetic acid disodium salt

Conditions

Conditions	Yield
With sodium hydroxide In water at 90℃; for 2h;	90%

: t-Butyl 3-chloromethyl-7α-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate-5,5-dioxide

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

A t-Butyl 7α-methoxy-3[[(1-carboxymethyl-tetrazol-5-yl)-thio[methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate-5,5-dioxide: t-Butyl 7α-methoxy-3[[(1-carboxymethyl-tetrazol-5-yl)-thio[methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate-5,5-dioxide

B: t-Butyl 7α-methoxy-3[[(1-carboxymethyl-tetrazol-5-yl)-thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate-5,5-dioxide

Conditions

Conditions	Yield
With sodium hydrogencarbonate; ethyl acetate In water; acetone	A 73% B n/a

...Expand

: manganese(II) perchlorate hexahydrate

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: Mn(5-mercapto-1H-tetrazole-1-acetic acid (1-))2(H2O)2

Conditions

Conditions	Yield
With Et3N In water tetrazole-compd. dissolved in H2O, Mn-compd. in H2O added dropwise, pH ajusted to 4.0 with Et3N, stirred at 80°C for 2 h, cooled; filtered, filtrate evaporated at room temp. for 2 months, elem. anal.;	73%

: 7732-18-5
water

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: zinc(II) oxide

: Zn(5-mercapto-1H-tetrazole-1-acetic acid (2-))(H2O)

Conditions

Conditions	Yield
In water tetrazole-compd. dissolved in H2O, ZnO added, stirred at 90°C for3 h, cooled; filtered, filtrate evaporated at room temp. for 3 months, elem. anal.;	70%

...Expand

: 7732-18-5
water

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: cadmium(II) oxide

: Cd(5-mercapto-1H-tetrazole-1-acetic acid (2-))(H2O)

Conditions

Conditions	Yield
In water tetrazole-compd. dissolved in H2O, CdO added, stirred at 90°C for3 h, cooled; filtered, filtrate evaporated at room temp. for 3 months, elem. anal.;	68%

...Expand

: cobalt(II) chloride hexahydrate

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: Co(5-mercapto-1H-tetrazole-1-acetic acid (1-))2(H2O)2

Conditions

Conditions	Yield
With Et3N In tetrahydrofuran; water Co-compd. in H2O added dropwise to tetrazole-compd. in THF, pH ajusted to 4.0 with Et3N, stirred at 80°C for 2 h, cooled; filtered, filtrate evaporated at room temp. for 2 months, elem. anal.;	66%

: 4472-44-0
2-chloro-4,6-dimethylpyrimidine

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 2-{5-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-1H-tetrazol-1-yl}acetic acid

Conditions

Conditions	Yield
With triethylamine In acetonitrile for 4h; Reflux;	66%

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 80366-38-7
sodium 7-(2-thienylacetamido)-2β-methyl-3-acetoxymethylceph-3-em-4-carboxylate

: 80366-41-2
disodium 7-(2-thienylacetamido)-2β-methyl-3-(1-carborxymethyl-1H-tetrazol-5-yl)thiomethylceph-3-em-4-carboxylate

Conditions

Conditions	Yield
With phosphate buffer; sodium hydrogencarbonate In water at 50℃; for 6h;	20%

: 2β-chloromethyl-2α-methylpenam-3α-carboxylic acid p-nitrobenzyl ester

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 908093-98-1
diazodiphenylmethane

: p-nitrobenzyl 2β-(1-diphenylmethoxycarbonylmethyl-5-tetrazolylthio)methyl-2α-methylpenam-3α-carboxylate

Conditions

Conditions	Yield
With sodium bicarbonate In dichloromethane; water; acetone	14%

...Expand

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 72248-77-2
(6R)-3-acetoxymethyl-7t-[2-(3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-acetylamino]-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid; sodium salt

: 72193-28-3
(6R)-3-(1-carboxymethyl-1H-tetrazol-5-ylsulfanylmethyl)-7t-[2-(3-methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-acetylamino]-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 957-68-6
7-Aminocephalosporanic acid

: 59118-46-6
3-<<<1H-1-(carboxymethyl)tetrazol-5-yl>thio>methyl>cephem

Conditions

Conditions	Yield
With sodium carbonate

: 95672-05-2
1,1-dimethylethyl 3-(chloromethyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylate 5,5-dioxide

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 116536-10-8
1,1-dimethylethyl 3-({[1-(carboxymethyl)tetrazol-5-yl]thio}methyl)-7α-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water; acetone

: 106134-67-2
(6R,7R)-trimethylsilyl 7-(trimethylsilyl)amino-3-iodomethylceph-3-em-4-carboxylate

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 59118-46-6
3-<<<1H-1-(carboxymethyl)tetrazol-5-yl>thio>methyl>cephem

Conditions

Conditions	Yield
With pyridine; methanol 1.) freon TF, CH2Cl2, from 0 to 5 deg C, 30 min, 2.) from 0 to 5 deg, 10 min; Yield given. Multistep reaction;

: 57658-36-3
(5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid

: 111389-99-2
(6R,7R)-Trimethylsilyl 7-[((Trimethylsilyl)oxy)carbonyl]-amino-3-iodomethylceph-3-em-4-carboxylate

: 59118-46-6
3-<<<1H-1-(carboxymethyl)tetrazol-5-yl>thio>methyl>cephem

Conditions

Conditions	Yield
With pyridine; methanol 1.) CH2Cl2, 2.) from 0 to 5 deg C, 15 min; Yield given. Multistep reaction;

5-Mercapto-1H-tetrazole-1-acetic acid Specification

The 5-Mercapto-1H-tetrazole-1-acetic acid , with the CAS regiser number 57658-36-3, has the systematic name of (5-thioxo-2,5-dihydro-1H-tetrazol-1-yl)acetic acid . Besides, it could also be known to us as
mtaa ; 5-mercaptotetrazole-1-acetic acid ; 5-mercaptotetrazolylacetic acid sodium salt ; 5-mercapto-1h-tetrazole-1-acetic acid ; 2,5-dihydro-5-thioxo-1h-tetrazol-1-acetic acid ; mtaa: 5- mercapto-1h- tetrazole –1-acetic acid ; 1-carboxymethyl-5-mercapto-1,2,3,4-tetrazole ; (5-mercapto-1h-tetrazol-1-yl)acetic acid .

Characteristics of this kind of chemcial are as below: (1)#H bond acceptors: 6 ; (2)#H bond donors: 2 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 89.59 ; (5)Index of Refraction: 1.852 ; (6)Molar Refractivity: 35.96 cm³ ; (7)Molar Volume: 80.3 cm³ ; (8)Polarizability: 14.25 ×10^-24 cm³ ; (9)Surface Tension: 92 dyne/cm ; (10)Density: 1.99 g/cm³ ; (11)Flash Point: 126 °C ; (12)Enthalpy of Vaporization: 57.62 kJ/mol ; (13)Boiling Point: 284.7 °C at 760 mmHg ; (14)Vapour Pressure: 0.000761 mmHg at 25°C .

Being a kind of harmful chemical, it may cause damage to health. If by inhalation or swallowed or in contact with skin, it will be very harmful and it has possible risk of harm to the unborn child. So while using this kind of chemical, we should be more cautious. Wear suitable protective clothing and gloves and do not breathe dust while using. It belongs to the category of organic acids. And it is widely used in pharmaceutics, such as being the side chain of ceforanide.

As for its using in the lab, it could be used to make other substance, and you could operate in the laborary with the following steps: Firstly, prepare the reactant of (5-thioxo-4,5-dihydro-tetrazol-1-yl)-acetic acid and sodium 7-(2-thienylacetamido)-2b-methyl-3-acetoxymethylceph-3-em-4-carboxylate , and then react in the reagent of NaHCO3, phosphate buffer and solvent of H2O, for about 6 hours under the temperature of 50 ℃. Through this way, you could get the disodium 7-(2-thienylacetamido)-2b-methyl-3-(1-carborxymethyl-1H-tetrazol-5-yl)thiomethylceph-3-em-4-carboxylate .

In addition, you could convert the following data information into the molecular structure:
SMILES:O=C(O)CN1C(=S)/N=N\N1
InChI:InChI=1/C3H4N4O2S/c8-2(9)1-7-3(10)4-5-6-7/h1H2,(H,8,9)(H,4,6,10
InChIKey:UOTQEHLQKASWQO-UHFFFAOYAS

As for its market information, you could find many suppliers in China, such as Ningbo Sinova Import/Export Corp , Wuhan Weishunda Technology Development Co., Ltd and so on.

Product Name

5-Mercapto-1H-tetrazole-1-acetic acid

Synthetic route

5-Mercapto-1H-tetrazole-1-acetic acid Specification

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