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301345

Sigma-Aldrich

3-氯-3-甲基-1-丁炔

97%

别名:

α,α-二甲基炔丙基氯化物, 2-氯-2-甲基-3-丁炔, 2-甲基-2-氯-3-丁炔, 2-甲基-3-丁炔-2基氯化物, 3-氯-3-甲基-1-丁炔, 3-氯-3-甲基丁炔, 3-甲基-1-丁炔-3基氯化物, 3-甲基-3-氯-1-丁炔, 3-甲基-3-氯丁炔

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About This Item

线性分子式:
ClC(CH3)2C≡CH
CAS号:
1111-97-3
分子量:
102.56
EC 号:
214-188-9
MDL编号:
MFCD00190221
UNSPSC代码:
12352100
PubChem化学物质编号:
24858181
NACRES:
NA.22
价格与库存信息目前不能提供

方案

97%

表单

liquid

折射率

n20/D 1.418 (lit.)

沸点

73-75 °C (lit.)

mp

−61 °C (lit.)

密度

0.913 g/mL at 25 °C (lit.)

官能团

alkyl halide
chloro

储存温度

2-8°C

SMILES字符串

CC(C)(Cl)C#C

InChI

1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3

InChI key

QSILYWCNPOLKPN-UHFFFAOYSA-N

相关类别

应用

3-氯-3-甲基-1-丁炔被用于制备：
  • 苯并[b]吡喃并[2,3-i]呫吨-6-酮和苯并[b]吡喃并[3,2-h]呫吨-7-酮系列[1]
  • 6-羟基-3,3-二甲基-3H,7H-苯并[a]吡喃并[3,2-h]呫吨-7-酮[2]
  • 5-羟基-2,2-二甲基-2H,6H-苯并[a]吡喃并[2,3-i]呫吨-6-酮[2]
  • 3,3-二甲基-3H苯并呋喃[3,2-f][1]-苯并吡喃[3]

象形图

FlameExclamation mark
GHS02,GHS07

警示用语：

Danger

危险分类

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2

储存分类代码

3 - Flammable liquids

WGK

WGK 3

闪点(°F)

39.2 °F - closed cup

闪点(°C)

4 °C - closed cup

个人防护装备

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

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
MKCP6061
MKCN1253
MKCL9681
MKBV4870V
MKBT0947V

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C Sittisombut et al.
Chemical & pharmaceutical bulletin, 49(6), 675-679 (2001-06-20)
Condensation of 3-hydroxy-2-naphthalenecarboxylic acid with phloroglucinol afforded 1,3-dihydroxy-12H-benzo[b]xanthen-12-one. Construction of an additional dimethylpyran ring onto this skeleton, by alkylation with 3-chloro-3-methyl-1-butyne followed by Claisen rearrangement, gave access to a series of benzo[b]pyrano[2,3-i]xanthen-6-ones and benzo[b]pyrano[3,2-h]xanthen-7-ones related to psorospermine and benzo[b]acronycine. In
Soizic Prado et al.
Bioorganic & medicinal chemistry, 14(15), 5423-5428 (2006-04-18)
Alkylation of 2-hydroxydibenzofuran with 3-chloro-3-methyl-1-butyne, followed by Claisen rearrangement, gave access to 3,3-dimethyl-3Hbenzofuro[3,2-f][1]-benzopyran. Several derivatives modified at the pyran 1,2-double bond were prepared, including the corresponding dihydro compound and (+/-)-cis-diol, which was converted into diacetate and cyclic carbonate upon acylation.
Chavalit Sittisombut et al.
Chemical & pharmaceutical bulletin, 54(8), 1113-1118 (2006-08-02)
Condensation of 2-hydroxy-1-naphthalenecarboxylic acid with phloroglucinol afforded 9,11-dihydroxy-12H-benzo[a]xanthen-12-one (6). Construction of an additional dimethylpyran ring onto this skeleton, by alkylation with 3-chloro-3-methyl-1-butyne followed by Claisen rearrangement, gave access to 6-hydroxy-3,3-dimethyl-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one (12) and 5-hydroxy-2,2-dimethyl-2H,6H-benzo[a]pyrano[2,3-i]xanthen-6-one (13), which were methylated into 6-methoxy-3,3-dimethyl-3H,7H-benzo[a]pyrano[3,2-h]xanthen-7-one (14)

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