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2-茚酮

2-茚酮用途

【用途一】
用于制备阿普林定和头孢雷特等药物
【用途二】
安博律定（茚丙胺）的中间体。

2-茚酮名称

[ CAS 号 ]:
615-13-4

[ 中文名 ]:
2-茚酮

[ 英文名 ]:
2-Indanone

[中文别名 ]:

[英文别名 ]:

EINECS 210-410-3
MFCD00003792
1,3-dihydroinden-2-one
2-Indanone
2-oxo-2,3-dihydro-1H-indene
2H-Inden-2-one, 1,3-dihydro-
2H-Inden-2-one,1,3-dihydro
2,3-dihydro-1H-inden-2-one
1,3-Dihydro-2H-inden-2-one
indan-2-one

2-茚酮物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
248.9±29.0 °C at 760 mmHg

[ 熔点 ]:
51-54 °C(lit.)

[ 分子式 ]:
C₉H₈O

[ 分子量 ]:
132.159

[ 闪点 ]:
100.0±0.0 °C

[ 精确质量 ]:
132.057510

[ PSA ]:
17.07000

[ LogP ]:
1.23

[ 外观性状 ]:
白色晶体

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.585

[ 储存条件 ]:
2-8°C

[ 水溶解性 ]:
insoluble

2-茚酮MSDS

2-茚酮毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NK7535500

CHEMICAL NAME :: 2-Indanone

CAS REGISTRY NUMBER :: 615-13-4

BEILSTEIN REFERENCE NO. :: 0636550

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H8-O

MOLECULAR WEIGHT :: 132.17

WISWESSER LINE NOTATION :: L56 CVT&J

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08390

2-茚酮安全信息

[ 个人防护装备 ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ 危害码 (欧洲) ]:
Xi: Irritant;

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S22-S24/25

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ RTECS号 ]:
NK7535500

[ 包装等级 ]:
II; III

[ 危险类别 ]:
4.1

[ 海关编码 ]:
2914399090

2-茚酮合成路线

2-茚酮上下游产品

2-茚酮上游产品

2-茚酮下游产品

2-茚酮制备

1.制法：

茚满-1,2-二醇单甲酸酯（3）：于装有搅拌器、温度计、滴液漏斗的反应瓶中国，加入88%的甲酸700mL，30%的过氧化氢140mL（1.37mol），搅拌下于35～40℃慢慢滴加茚（2）116.2g[117.3mL,1.0mol(98%)],约2h加完。最后加入100mL甲酸以冲洗滴液漏斗。室温搅拌反应7h以使反应完全。减压蒸出甲酸（2.66～4.0kPa），剩余物冷至室温，得浅棕色固体（3）。2-茚满酮（1）：于蒸馏瓶中加入7%的硫酸2L和化合物（3），进行水蒸气蒸馏。流出速度约1L/h，注意随时补加水保持反应瓶中体积在2L左右，共收集馏出液5～6L。瓶中暗棕色液体冷后成半固体。馏出液冷后过滤，得白色固体。真空干燥12h以上，得化合物（1）90～107g，mp57～58℃，收率69%～81%。

2-茚酮海关

[ 海关编码 ]: 2914399090

[ 中文概述 ]:
2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 丙酮报明包装

[ Summary ]:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

2-茚酮文献

Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.

J. Med. Chem. 48 , 3808-15, (2005)

The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-ac...

Synthesis of indenoporphyrins, highly modified porphyrins with reduced diatropic characteristics.

J. Org. Chem. 76(13) , 5335-45, (2011)

Indene-fused porphyrins have been synthesized starting from 2-indanone. Knorr-type reaction of oximes derived from benzyl or tert-butyl acetoacetate with 2-indanone and zinc dust in propionic acid gav...

Bromoform activation. TiCl4-Mg-promoted CHBr2- and CBr3- transfer to a variety of aldehydes and ketones.

Org. Lett. 15(22) , 5802-5, (2013)

TiCl4-Mg can mediate addition of CHBr3 to a variety of aldehydes and ketones to form dibromomethyl carbinols and also be used to effect CBr3 transfer to carbonyl groups to form tribromomethyl carbinol...

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