CAS No.29676-71-9,2-Aminothiazol-4-acetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29676-71-9
Name:	2-Aminothiazol-4-acetic acid
Article Data:	8

Formula:	C₅H₆N₂O₂S
Molecular Weight:	158.181
Synonyms:	(2-Amino-1,3-thiazol-4-yl)aceticacid;(2-Amino-4-thiazoyl)acetic acid;2-(2-Amino-4-thiazolyl)acetic acid;2-Amino-4-thiazolylacetic acid;SQ 272;(2-Imino-2,3-dihydro-thiazol-4-yl)-acetic acid;
EINECS:	249-769-6
Density:	1.553 g/cm³
Melting Point:	130 °C (dec.)(lit.)
Boiling Point:	399.016 °C at 760 mmHg
Flash Point:	195.118 °C
Solubility:	insoluble in water
Appearance:	almost white to light beige crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	104.45000
LogP:	0.93360

Synthetic route

: 53266-94-7
ethyl 2-amino-1,3-thiazol-4-acetate

: 29676-71-9
2-amino-4-thiazoleacetic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 20℃; for 3h; Reflux;	89.7%
With water; sodium hydroxide at 20 - 25℃; for 0.5h; Temperature;	86.23%
With water; sodium hydroxide In ethanol for 5h; Reflux;

: (2-aminothiazol-4-yl) ethyl acetate hydrochloride

: 29676-71-9
2-amino-4-thiazoleacetic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 30 - 40℃; for 0.5h; Temperature;	89.5%

<2-amino-thiazolyl-(4)>-acetic acid ethyl ester: <2-amino-thiazolyl-(4)>-acetic acid ethyl ester

: 29676-71-9
2-amino-4-thiazoleacetic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 29676-71-9
2-amino-4-thiazoleacetic acid

: 64-17-5
ethanol

: 53266-94-7
ethyl 2-amino-1,3-thiazol-4-acetate

Conditions

Conditions	Yield
With thionyl chloride at 0 - 20℃; for 16h;	100%
With thionyl chloride at 0 - 25℃; for 16h;	98%
With hydrogenchloride for 3h; Heating;	92%
With hydrogenchloride Heating;	59%
With thionyl chloride at -5 - 20℃; for 13h;

: 67-56-1
methanol

: 29676-71-9
2-amino-4-thiazoleacetic acid

: 76629-18-0
methyl 2-aminothiazole-4-acetate hydrochloride

Conditions

Conditions	Yield
With thionyl chloride for 0.5h;	99%

: 29676-71-9
2-amino-4-thiazoleacetic acid

: C13H19N7O3S2*ClH

: cefotiam dihydrochloride

Conditions

Conditions	Yield
With 2,4-Dichloro-6-methoxy-1,3,5-triazine; triethylamine In water; acetone at 0 - 10℃; pH=5; Solvent; pH-value;	95%

: 67-56-1
methanol

: 29676-71-9
2-amino-4-thiazoleacetic acid

: 64987-16-2
(2-amino-thiazol-4-yl)-acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: methanol; 2-amino-4-thiazoleacetic acid With sulfuric acid In methanol at 0℃; Reflux; Stage #2: With sodium hydrogencarbonate pH=8 - 9;	93%
Stage #1: methanol; 2-amino-4-thiazoleacetic acid With sulfuric acid at 0 - 5℃; for 5h; Heating / reflux; Stage #2: With sodium hydrogencarbonate In water pH=8 - 9;	93%
With thionyl chloride for 12h;	91%

: 29676-71-9
2-amino-4-thiazoleacetic acid

: 391901-45-4
YM-208876

: 223673-61-8
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide

Conditions

Conditions	Yield
Stage #1: 2-amino-4-thiazoleacetic acid; YM-208876 In water at 20℃; for 0.0833333h; Stage #2: With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 20℃; for 1h; Reagent/catalyst; Temperature;	92.6%
With hydrogenchloride; 1,2-dichloro-ethane In water at 30℃; for 5h;	88.31%
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In d7-N,N-dimethylformamide at 25℃; for 13h; Reagent/catalyst;	84%
With hydrogenchloride; dmap In water at 20℃; for 6h;	79%
Stage #1: 2-amino-4-thiazoleacetic acid; YM-208876 With hydrogenchloride In water at 25 - 30℃; for 0.25h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at 25 - 30℃; Stage #3: With sodium hydroxide In water at 0 - 5℃; pH=9;	144 g

: 29676-71-9
2-amino-4-thiazoleacetic acid

: (1R)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethan-1-ol hydrochloride

: 223673-61-8
(R)-2-(2-aminothiazol-4-yl)-4'-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetanilide

Conditions

Conditions	Yield
With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 15 - 20℃; for 1h; pH=1.8 - 2;	92%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water at 20 - 25℃; for 4h; Concentration;	82%
With hydrogenchloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In water for 1h;

: 29676-71-9
2-amino-4-thiazoleacetic acid

: 24424-99-5
di-tert-butyl dicarbonate

: 89336-46-9
2-{2[(tert-butoxycarbonyl)amino]-1,3-thiazol-4-yl}acetic acid

Conditions

Conditions	Yield
In isopropyl alcohol at 0 - 20℃; for 12h; Solvent;	92%

Raw Materials

Downstream Products

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Specification

The 4-Thiazoleacetic acid, 2-amino-, with the CAS registry number 29676-71-9, is also known as (2-Imino-2,3-dihydro-thiazol-4-yl)-acetic acid. It belongs to the product categories of Nitrogen cyclic compounds; Sulphur Derivatives; Organic acids; Heterocyclic Compounds; Cephalosporins; Building Blocks; Heterocyclic Building Blocks; Thiazoles. Its EINECS number is 249-769-6. This chemical's molecular formula is C₅H₆N₂O₂S and molecular weight is 158.18. What's more, its systematic name is (2-Amino-1,3-thiazol-4-yl)acetic acid. This chemical should be sealed and stored in a cool place. Moreover, it should be protected from oxides. It is usually applied in the production of cephalosporins, and is also used as the intermediate of cefotiam. It can be prepared by chloro or bromo acetylacetic ether and thiocarbamide, and then go through the hydrolysis to get this chemical.

Physical properties of 4-Thiazoleacetic acid, 2-amino- are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): -2.12; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.45; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 104.45 Å²; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 38.078 cm³; (15)Molar Volume: 101.86 cm³; (16)Polarizability: 15.095×10^-24cm³; (17)Surface Tension: 84.47 dyne/cm; (18)Density: 1.553 g/cm³; (19)Flash Point: 195.118 °C; (20)Enthalpy of Vaporization: 68.514 kJ/mol; (21)Boiling Point: 399.016 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1nc(sc1)N
(2)Std. InChI: InChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)
(3)Std. InChIKey: DYCLHZPOADTVKK-UHFFFAOYSA-N