301345
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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关于此项目
线性分子式:
ClC(CH3)2C≡CH
化学文摘社编号:
分子量:
102.56
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
214-188-9
MDL number:
Assay:
97%
Form:
liquid
产品名称
3-氯-3-甲基-1-丁炔, 97%
InChI key
QSILYWCNPOLKPN-UHFFFAOYSA-N
InChI
1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3
SMILES string
CC(C)(Cl)C#C
assay
97%
form
liquid
refractive index
n20/D 1.418 (lit.)
bp
73-75 °C (lit.)
mp
−61 °C (lit.)
density
0.913 g/mL at 25 °C (lit.)
functional group
alkyl halide
chloro
storage temp.
2-8°C
Quality Level
Application
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
- 6-羟基-3,3-二甲基-3H,7H-苯并[a]吡喃并[3,2-h]呫吨-7-酮
- 5-羟基-2,2-二甲基-2H,6H-苯并[a]吡喃并[2,3-i]呫吨-6-酮
- 3,3-二甲基-3H苯并呋喃[3,2-f][1]-苯并吡喃
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
39.2 °F - closed cup
flash_point_c
4 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
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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