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Merck
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重要文件

28440

Sigma-Aldrich

氰乙酸叔丁酯

≥97.0% (GC)

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About This Item

線性公式:
NCCH2COOC(CH3)3
CAS號碼:
分子量::
141.17
Beilstein:
1755933
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

品質等級

化驗

≥97.0% (GC)

折射率

n20/D 1.420

bp

40-42 °C/0.1 mmHg (lit.)

密度

0.988 g/mL at 20 °C (lit.)

官能基

ester
nitrile

儲存溫度

2-8°C

SMILES 字串

CC(C)(C)OC(=O)CC#N

InChI

1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3

InChI 密鑰

BFNYNEMRWHFIMR-UHFFFAOYSA-N

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一般說明

tert-Butyl cyanoacetate undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines.

應用

tert-Butyl cyanoacetate was used in the synthesis of vinylogous urea.

儲存類別代碼

10 - Combustible liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

244.4 °F - closed cup

閃點(°C)

118 °C - closed cup

個人防護裝備

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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分析證明 (COA)

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Barry B Snider et al.
Organic letters, 7(20), 4519-4522 (2005-09-24)
[reaction: see text] Addition of the enolate of tert-butyl acetate to cyanamide methyl ester 17 followed by treatment with LHMDS afforded vinylogous urea 19 in 27% yield. Vinylogous urea 19 was also obtained from 37 and tert-butyl cyanoacetate in 50%
Ben S Pilgrim et al.
Organic letters, 15(24), 6190-6193 (2013-11-21)
A methyl ketone, an aryl bromide, an electrophile, and ammonium chloride were combined in a four-component, three-step, and one-pot coupling procedure to furnish substituted isoquinolines in overall yields of up to 80%. This protocol utilizes the palladium catalyzed α-arylation reaction

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