Ethyl 2-cyano-2-(hydroxyimino)acetate
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Ethyl 2-cyano-2-(hydroxyimino)acetate
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CAS No:
3849-21-6
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Formula:
C5H6N2O3
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Chemical Name:
Ethyl 2-cyano-2-(hydroxyimino)acetate
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Synonyms:
Acetic acid,2-cyano-2-(hydroxyimino)-,ethyl ester;Glyoxylic acid,cyano-,ethyl ester,2-oxime;Acetic acid,cyano(hydroxyimino)-,ethyl ester;Glyoxylic acid,cyano-,ethyl ester,oxime;Ethyl cyanoglyoxylate oxime;Ethyl 2-hydroxyimino-2-cyanoacetate;Ethyl α-cyano-α-oximinoacetate;Ethyl cyano(hydroxyimino)acetate;Ethyl 2-cyano-2-(hydroxyimino)ethanoate;Ethyl 2-(hydroxyimino)cyanoacetate;Ethyl cyanoglyoxylate-2-oxime;NSC 137667;NSC 41021;NSC 42116;Ethyl 2-cyano-2-oximinoacetate;2-Cyano-2-(hydroxyimino)acetic acid ethyl ester;Ethyl 2-cyano-2-(hydroxyimino)acetate;Oxyma;Oxyma Pure;Ethyl 2-cyano-2-oxidoiminoacetate;884234-60-0
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CAS No:
Characteristics
82.7
-0.09672
light yellow crystals or chunks
1.2±0.1 g/cm3
129 °C
106 °C @ Press: 10 Torr
104.3±22.6 °C
1.496
2-8°C
Safety Information
III
6.1
3276
3
20/21/22
22-24/25-36/37
Xn,Xi
Irritant
|Warning|H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 20 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 2-cyano-2-(hydroxyimino)acetate Use and Manufacturing
Preparation of hydroxylirainocyano acetic acid ethyl esterTo a suspension of ethyl cyanoacetate (1.0 Kg, 8.84 mol) and sodium nitrite (0.735 kg, 10.65 mol) in water (0.80 L), acetic acid (0.70 kg, 11.66 mol) was added at 0-5A solution of sodium nitrite (5.73 g, 0.083 mol) in water (71 mL) was treated with ethyl cyanoacetate 16 (10 g, 0.083 mol). 85percent orthiphosphoric acid (3.66 mL, 0.055 mol) was added dropwise, while keeping the temperature of the reaction mixture below 10 °C with the aid of an ice bath. At the end of the addition, the mixture was warmed to 40 °C and stirred for 1 h. The reaction was quenched at 45 °C with fuming HCl (7.4 mL, 0.088 mol), and the mixture was then left to cool to room temperature and at 0 °C overnight to complete precipitation. The solid was filtered, the filtrate washed with water and dried under high vacuum overnight to yield 17 as white crystals (7.73 g, 61.45percent). Mp 126-127 °C;
A non-explosive alternative to HOBt.
Computed Properties
Molecular Weight:142.11
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:142.03784206
Monoisotopic Mass:142.03784206
Topological Polar Surface Area:82.7
Heavy Atom Count:10
Complexity:200
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Ethyl 2-cyano-2-(hydroxyimino)acetate
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Business licensed Certified factoryManufactory Supplier of prostaglandinsInquiryUnit Price: $1111 /KG FOBCAS No.: 3849-21-6Grade: Pharmaceutical GradeContent: 98% -
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IN
5 YRS
Business licensedTrader Supplier of custom synthesis,oxyma,NCe's,Amino Acids Derivatives,specialty chemicals,linkersInquiryCAS No.: 3849-21-6Grade: Chemical GradeContent: 98%
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Ethyl 2-cyano-2-(hydroxyimino)acetate
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