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Ethyl (ethoxymethylene)cyanoacetate

Ethyl (ethoxymethylene)cyanoacetate structure

CAS No:
94-05-3
Formula:
C8H11NO3
Chemical Name:
Ethyl (ethoxymethylene)cyanoacetate
Synonyms:
2-Propenoic acid,2-cyano-3-ethoxy-,ethyl ester;Acrylic acid,2-cyano-3-ethoxy-,ethyl ester;Ethyl 2-cyano-3-ethoxyacrylate;Ethyl 2-cyano-3-ethoxy-2-propenoate;Ethyl (ethoxymethylene)cyanoacetate;Ethyl 3-ethoxy-2-cyanoacrylate;Ethyl α-(ethoxymethylene)-α-cyanoacetate;Ethyl cyano(ethoxymethylene)acetate;Ethyl 2-cyano-3-ethoxypropenoate;2-Cyano-3-ethoxy-2-propenoic acid ethyl ester;Ethyl 2-(ethoxymethylene)-2-cyanoacetate;Ethyl cyano(ethoxymethylidene)acetate;NSC 27797;NSC 31579;NSC 62026;2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester;2-Cyano-3-ethoxyacrylic acid ethyl ester;Ethyl 2-cyano-3-(ethyloxy)-2-propenoate;Ethyl 2-cyano-2-(ethoxymethylene)acetate;Ethyl 2-ethoxymethylidenecyanoacetate
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

white to light yellow crystalline solid

Ethyl (ethoxymethylene)cyanoacetate Basic Attributes

Molecular Weight：

169.18

Exact Mass：

169.18

BRN：

878814

EC Number：

202-299-5

UNII：

53706319OM

DSSTox ID：

DTXSID4059097

HScode：

2926909090

Characteristics

PSA：

59.32000

XLogP3：

Appearance：

White to yellow Crystalline Mass or Crystals

Density：

1.1±0.1 g/cm3

Melting Point：

49-50 °C

Boiling Point：

150-155 °C @ Press: 5 Torr

Flash Point：

>230 °F

Refractive Index：

1.452

Water Solubility：

H2O: <0.01 g/L (20 ºC)

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38-42/43-41-37/38-22

safety instructions：

26-37/39

Marks：

Xi,T,Xn

Hazard note：

Toxic

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H301 (10.42%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P310, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl (ethoxymethylene)cyanoacetate Use and Manufacturing

Methods of Manufacturing

Ethyl cyanoacetate, triethyl orthoformate, and acetic anhydride were sequentially added to the reaction pot, stirred and heated to 140° C., refluxed for 4 hours, and distilled under reduced pressure until there was no distillate. Cool, crystallize, filter, wash with appropriate amount of ethanol, and dry to obtain ethyl ethoxymethine cyanoacetate.

Uses

Used as organic synthesis and pharmaceutical intermediates

Manufacturing Info：

2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester: ACTIVE

Computed Properties

Molecular Weight:169.18
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:169.07389321
Monoisotopic Mass:169.07389321
Topological Polar Surface Area:59.3
Heavy Atom Count:12
Complexity:224
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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CAS No.: 94-05-3

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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CAS No.: 94-05-3

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Content: 99%

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CN
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Ethyl (ethoxymethylene)cyanoacetate 94-05-3

CAS No.: 94-05-3

Grade: Industrial Grade

Content: 99%

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Latest News on Ethyl (ethoxymethylene)cyanoacetate

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Guide of Ethyl (ethoxymethylene)cyanoacetate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Ethyl (ethoxymethylene)cyanoacetate

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