Ethyl acetimidate hydrochloride

Base Information

• Chemical Name: Ethyl acetimidate hydrochloride
• CAS No.: 2208-07-3
• Molecular Formula: C4H10ClNO
• Molecular Weight: 123.582
• Hs Code.: 29252900
• European Community (EC) Number: 218-631-7
• NSC Number: 139094,97328
• DSSTox Substance ID: DTXSID90883809
• Mol file: 2208-07-3.mol

Synonyms:ethyl acetimidate;ethyl acetimidate hydrochloride;ethyl acetimidate, 14C-labeled;ethylacetimidate

Chemical Property of Ethyl acetimidate hydrochloride

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Melting Point: 112-114 °C(lit.)
• Boiling Point: 57.3 °C at 760 mmHg
• Flash Point: 22.3 °C
• PSA: 33.08000
• Density: 0.89g/cm3
• LogP: 1.92180
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: water: soluble50mg/mL, clear, colorless
• Water Solubility.: Soluble in water (50mg/L).
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.0450916
• Heavy Atom Count: 7
• Complexity: 51.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

EthylAcetimidateHydrochloride(>90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=N)C.Cl
• Uses: Ethyl acetimidate hydrochloride was used in preparation of amidinated carbonic anhydrase via chemical modification of human erythrocyte carbonic anhydrase. It was also used in synthesis of methyl 2-methyl-2-thiazoline-4-carboxylate hydrochloride.

Technology Process of Ethyl acetimidate hydrochloride

There total 6 articles about Ethyl acetimidate hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

ethanol (64-17-5) + acetonitrile (75-05-8,26809-02-9) → ethyl acetimidate hydrochloride (2208-07-3)

Guidance literature:

With hydrogenchloride; at 0 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.2174/138620711794474033

Reference yield: 94.1%

→ ethyl acetimidate hydrochloride (2208-07-3)

Guidance literature:

Reference yield:

acetyl chloride (75-36-5) + acetonitrile (75-05-8,26809-02-9) → ethyl acetimidate hydrochloride (2208-07-3)

Guidance literature:

In methanol; tert-butyl methyl ether; at 0 ℃; for 3.5h;

upstream raw materials:

ethanol

acetonitrile*2hydrogen chloride

acetamide

chloroformic acid ethyl ester

Downstream raw materials:

2-methyl-4-amino-5-cyanopyrimidine

Triethyl orthoacetate

chloroethane

ethyl acetate

Refernces

• 1、 Hinkel,Treharne. "-". . p. 866. Retrieved 1945.
• 2、 Bessi, Irene,H?bartner, Claudia,Lenz, Ann-Kathrin,Steinmetzger, Christian. "Structure-fluorescence activation relationships of a large Stokes shift fluorogenic RNA aptamer". . p. 11538 - 11550. Retrieved 2019.
• 3、 Cai, Zhi-Bin,Chen, Li-Jun,Li, Sheng-Li,Ye, Qing,Tian, Yu-Peng. "Synthesis, electronic structure, linear and nonlinear photophysical properties of novel asymmetric branched compounds". . . Retrieved 2020/01/08.
• 4、 ?zil, Musa,Balayd?n, Halis Türker,?entürk, Murat. "Synthesis of 5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-one's aryl Schiff base derivatives and investigation of carbonic anhydrase and cholinesterase (AChE, BuChE) inhibitory properties". . p. 705 - 713. Retrieved 2019/03/06.