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异氰酸叔丁酯

异氰酸叔丁酯用途

能参与胺和羧酸的缩合反应。用于氨基酸和肽的合成，也是合成吲哚化合物的试剂。

异氰酸叔丁酯名称

[ CAS 号 ]:
7188-38-7

[ 中文名 ]:
异氰酸叔丁酯

[ 英文名 ]:
Tert-Butyl isocyanide

[中文别名 ]:

[英文别名 ]:

EINECS 230-553-5
tert-butylisocyanide
t-butylisocyanide
Tert-Butyl isocyanide
tert-Butylisonitrile
Propane, 2-isocyano-2-methyl-
t-Butylisonitrile
2-Isocyano-2-Methyl-Propane
.tert.-Butylisocyanide
2-Methyl-2-isocyanopropane

异氰酸叔丁酯物理化学性质

[ 密度 ]:
0.735 g/mL at 25 °C(lit.)

[ 沸点 ]:
91 °C(lit.)

[ 分子式 ]:
C₅H₉N

[ 分子量 ]:
83.132

[ 闪点 ]:
-2 °C

[ 精确质量 ]:
83.073502

[ LogP ]:
0.93490

[ 外观性状 ]:
液体

[ 折射率 ]:
n20/D 1.376(lit.)

[ 储存条件 ]:
库房通风低温干燥,防明火,与氧化剂分开存放

异氰酸叔丁酯MSDS

详细MSDS(安全技术说明书)

异氰酸叔丁酯毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EQ7102500

CHEMICAL NAME :: tert-Butyl isocyanide

CAS REGISTRY NUMBER :: 7188-38-7

LAST UPDATED :: 199206

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C5-H9-N

MOLECULAR WEIGHT :: 83.15

WISWESSER LINE NOTATION :: NCX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 710 mg/m3/4H

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 33,241,1975

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 377 mg/m3/4H

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 33,241,1975

异氰酸叔丁酯安全信息

[ 符号 ]:

GHS02, GHS06

[ 信号词 ]:
Danger

[ 危害声明 ]:
H225-H330

[ 警示性声明 ]:
P210-P260-P284-P310

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
F: Flammable;T: Toxic;

[ 风险声明 (欧洲) ]:
R11;R23

[ 安全声明 (欧洲) ]:
S16-S45

[ 危险品运输编码 ]:
UN 1993 3/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
EQ7102500

[ 包装等级 ]:
II

[ 危险类别 ]:
3

[ 海关编码 ]:
2929109000

异氰酸叔丁酯制备

1. 注意!在良好的通风橱中操作。
在装有磁力搅拌器、回流冷凝器和恒压滴液漏斗的2升圆底烧瓶中，加300毫升水，在搅拌下分批加入300克(7.50摩尔)氢氧化钠并使之溶解。在滴液漏斗中放置工141.5克(208毫升，1.93摩尔)叔丁胺、117.5克(80毫升0.9898摩尔)三氯甲烷、2克苄基三乙基氯化按和300毫升二氯甲烷，混匀后在搅拌下30分钟内滴加到45℃的氢氧化钠溶液中。滴加开始，反应物即开始回流，并在两小时后析出沉淀。继续搅拌1小时后加800毫升冰水稀释，分出有机层，水层用100毫升二氯甲烷萃取。将萃取液与有机层合并，依次用100毫升水和100毫升5%氯化钠水溶液洗涤，加无水硫酸镁干燥。过滤，通过充填聚四氟乙烯伙的分馏柱分馏a以便能有效地回收溶剂和未反应的叔丁胺。
还可先将叔丁胺与甲酸乙醋反应制成N一叔丁基甲酞胶，然后用三氯氧磷脱水而形成叔丁基异腊

异氰酸叔丁酯海关

[ 海关编码 ]: 2926909090

[ 中文概述 ]:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

异氰酸叔丁酯文献

Optimization of the Ugi reaction using parallel synthesis and automated liquid handling.

J. Vis. Exp. (21) , doi:10.3791/942, (2008)

The optimization of a Ugi reaction involving the mixing of furfurylamine, benzaldehyde, boc-glycine and t-butylisocyanide is described. Triplicate runs of 48 parallel experiments are reported, varying...

Palladium-catalyzed synthesis of isocoumarins and phthalides via tert-butyl isocyanide insertion.

J. Org. Chem. 77(22) , 10321-8, (2012)

A novel and highly efficient strategy for the synthesis of isocoumarins and phthalides through a palladium(0)-catalyzed reaction incorporating tert-butyl isocyanide has been developed. This process, p...

Towards molecular diversity: dealkylation of tert-butyl amine in Ugi-type multicomponent reaction product establishes tert-butyl isocyanide as a useful convertible isonitrile.

Org. Biomol. Chem. 8(16) , 3631-4, (2010)

With the development of a novel microwave-assisted one-pot tandem de-tert-butylation of tert-butyl amine in an Ugi-type multicomponent reaction product, tert-butyl isocyanide as a useful convertible i...

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