Acetamidine hydrochloride

CAS No.：124-42-5

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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Acetamidine hydrochloride Basic information

Uses

Product Name:	Acetamidine hydrochloride
Synonyms:	ACETAMIDINIUM CHLORIDE;ACEDIAMINE HYDROCHLORIDE;Ethaneamidinehydrochloride;ethanimidamide,monohydrochloride;Ethylamidinehydrochloride;Acetalmidine hydrochioride;Acetamidine;ACECAMIDINE HYDROCHLORIDE
CAS:	124-42-5
MF:	C2H7ClN2
MW:	94.54
EINECS:	204-700-9
Product Categories:	straight chain compounds;Miscellaneous Reagents;Fatty & Aliphatic Acids, Esters, Alcohols & Derivatives;pharmacetical;Aliphatics;Imines/Amidines;Pharmaceutical Intermediates;Nitrogen Compounds;Organic Building Blocks
Mol File:	124-42-5.mol

Acetamidine hydrochloride Chemical Properties

Melting point	165-170 °C(lit.)
Boiling point	129.78°C (rough estimate)
density	1.0596 (rough estimate)
refractive index	1.5500 (estimate)
storage temp.	Inert atmosphere,Room Temperature
pka	pK1: 1.60(+1) (25°C)
form	Crystalline Powder, Crystals and/or Chunks
color	White to cream
Water Solubility	1 g/mL
Sensitive	Hygroscopic
Merck	14,44
BRN	3591762
InChIKey	WCQOBLXWLRDEQA-UHFFFAOYSA-N
CAS DataBase Reference	124-42-5(CAS DataBase Reference)
EPA Substance Registry System	Ethanimidamide, monohydrochloride (124-42-5)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38-36/38
Safety Statements	26-37/39
WGK Germany	3
F	3
TSCA	Yes
HS Code	29252000

MSDS Information

Provider	Language
Acetamidine hydrochloride	English
SigmaAldrich	English
ACROS	English
ALFA	English

Acetamidine hydrochloride Usage And Synthesis

Uses	Acetamidine Hydrochloride is a compound useful in organic synthesis.
Chemical Properties	WHITE FINE CRYSTALLINE POWDER
Uses	Acetamidine hydrochloride was used in the preparation of decarboxyectoine. It was also used in the synthesis of ethyl 4-(4-hydroxyphenyl)methylidene-2-methyl-5-oxo-1-imidazolacetate.
General Description	Acetamidine hydrochloride is an amidine salt and its conversion to 2,4,6-trimethyl-sym-triazine has been studied.
Purification Methods	The hydrochlorde can be recrystallised from small volumes of EtOH. Alternatively it is dissolved in EtOH, filtered, Et2O is added; filter the crystalline salt off under N2 and dry it in a vacuum desiccator over H2SO4. The salt is deliquescent and should be stored in a tightly stoppered container. Its solubility in H2O is 10% at room temperature and it is soluble in Me2CO. The free base reacts strongly alkaline in H2O. It has max 224nm ( 4000) in H2O. The picrate has m 252o (sintering at ~245o). [Dox Org Synth Coll Vol I 5 1941, Davies & Parsons Chem Ind (London) 628 1958, Barnes et al. J Am Chem Soc 62 1286 1940 give m 177-178o, Beilstein 2 H 185, 2 I 85, 2 II 183, 2 III 416, 2 IV 428.]

Acetamidine hydrochloride Preparation Products And Raw materials

Raw materials

Hydrochloric acid-->Methanol-->Ammonia-->Ammonium chloride-->Acetonitrile-->Phosphoric acid-->Chlorosulfonic acid-->ETHYL METHYL ETHER-->ethyl acetimidate-->N'-Hydroxyethanimidamide hydrochloride

Preparation Products

2,4-DIMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID-->4-CHLORO-2-METHYLPYRIMIDINE-->Thiamine nitrate-->Thiamine hydrochloride-->4-(TRIFLUOROMETHYL)-2-METHYLPYRIMIDINE-5-CARBOXYLIC ACID-->4,6-DIHYDROXY-2-METHYL-PYRIMIDINE-5-CARBALDEHYDE-->5-Acetamidomethyl-4-Amino-2-Methyl pyrimidine-->5-BROMO-4-HYDROXY-2-METHYLPYRIMIDINE-->4-HYDROXY-2-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER-->Phosazetim-->4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE-->Acetamiprid-->4,6-Dihydroxy-2-methylpyrimidine-->4-HYDROXY-2-METHYL-6-TRIFLUOROMETHYLPYRIMIDINE-->4-HYDROXY-2-METHYLPYRIMIDINE-->4-AMINO-2-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID-->4(1H)-Pyrimidinone, 2-methyl- (8CI,9CI)-->4-AMINO-2-METHYLPYRIMIDINE-5-CARBONITRILE

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