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4-(4-氯苯基)环己基羧酸 | 95233-37-7

4-(4-氯苯基)环己基羧酸
4-(4-Chlorophenyl)cyclohexanecarboxylic acid
95233-37-7
C13H15ClO2
238.710003137589
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-(4-氯苯基)环己基羧酸结构式
名称和标识符
MDL MFCD00665919
InChIKey NXXDIEYTMQYWJU-UHFFFAOYSA-N
Inchi 1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)
SMILES O=C(C1CCC(C2C=CC(Cl)=CC=2)CC1)O
别名信息
- 中文别名 -
  • 4-(4-氯苯基)环己基羧酸
  • 4-(4-氯苯基)环己基羧酸3-羟基苯乙酮
  • 4-(4-氯苯基)环己基-1-羧酸
  • 阿托伐醌中间体(2)
  • 反式 4-(4-氯苯基)环己基羧酸
- 英文别名 -
  • 4-(4-Chlorophenyl)cyclohexanecarboxylic acid
  • (E)-4-(4-CHLOROPHENYL)CYCLOHEXANECARBOXYLIC ACID
  • 4-(4'-Chlorophenyl)cyclohexancarboxylic acid
  • trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid
  • 1,4-Dioxaspiro[4.5]dec-7-ene,8-(4-chlorophenyl)
  • 4-(4-chlorophenyl)cycIohex-3-en
  • 4-(4-chlorophenyl)cyclohex-3-enone monoehtylene ketal
  • 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
  • 4-(4-CHLOROPHENYL)CYCLOHEXYLCARBOXYLIC ACID
  • 4,4-DIMETHYL-6-ETHYNYLTHIOCHROMAN
  • Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, trans-
  • Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-
  • Atovaquone Related Compound 1
  • cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid
  • 4-(4-CHLOROPHENYL)CYCLOHEXANE CARBO
  • 4-(4-Chlorophenyl)cyclohexanecarboxylic acid (ACI)
  • 4-(4-chlorophenyl)cyclohexanecarboxylic acid
物化性质
实验特性
LogP 3.69840
PSA 37.30000
折射率 1.56
熔点 250-255 ºC
密度 1.2
计算特性
精确分子量 238.07600
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 2
同位素质量 238.0760574 g/mol
重原子数量 16
复杂度 238
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.7
拓扑分子极性表面积 37.3
分子量 238.71
海关数据
海关编码 2916399090
海关数据

中国海关编码:

2916399090

概述:

2916399090 其他芳香一元羧酸. 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, 丙烯酸、丙烯酸盐或酯应报明包装

Summary:

2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

合成路线

合成路线:1 步

参考文献:
Methods and pharmaceutical compositions using 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone for treatment of cryptosporidiosis
, Canada, , ,

合成路线:1 步

参考文献:
Combination of atovaquone with proguanil for the treatment of protozoal infections
, World Intellectual Property Organization, , ,

合成路线:1 步

参考文献:
Naphthoquinone derivatives
, European Patent Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Synthesis of 4-(4-chlorophenyl)cyclohexanecarboxylic acid
, China, , ,

合成路线:1 步

参考文献:
Spirocycloalkyl-substituted azetidinones useful as hypocholesterolemic agents
, World Intellectual Property Organization, , ,

合成路线:1 步

参考文献:
2-[4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone for the treatment of toxoplasmosis
, World Intellectual Property Organization, , ,

合成路线:1 步

反应条件:
参考文献:
Process for preparation of Atovaquone and polymorph thereof
, India, , ,

合成路线:1 步

反应条件:
参考文献:
Process for preparation of 4-(4-chlorophenyl)cyclohexyl-1-formic acid 4-(4-chlorophenyl)-cyclohexyl-1-formic acid
, China, , ,

合成路线:1 步

参考文献:
Pharmaceutical compositions containing cyclohexylnaphtoquinone derivatives for treating Babesia infection
, United States, , ,

合成路线:1 步

参考文献:
Preparation of naphthoquinone derivatives and pharmaceutical compositions containing them for treatment of infection with Pneumocystis carinii
, Japan, , ,

合成路线:1 步

反应条件:
参考文献:
Process for the preparation of 4-(4-chlorphenyl)cyclohexanecarboxylic acid
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Medicaments for the treatment of toxoplasmosis
, United States, , ,

合成路线:1 步

反应条件:
参考文献:
Preparation of spirocycloalkylazetidinones as hypocholesterolemic agents.
, United States, , ,

合成路线:1 步

参考文献:
Use of rifabutin and a combination of rifabutin and atovaquone in the treatment of Pneumocystis carinii infections
, World Intellectual Property Organization, , ,

合成路线:1 步

参考文献:
Pharmaceutical compositions containing cyclohexylnaphtoquinone derivatives for treatment of protozoal infections
, World Intellectual Property Organization, , ,
相关文献
  • 1. The detection of chiral perturbations in ferroelectric liquid crystals induced by dopants with axially chiral 2,2′-spirobiindan-1,1′-dione cores
    Qian Cui,Christa M. Huntley,Robert P. Lemieux J. Mater. Chem. 2009 19 5188
化合物详情(旧版)

SMILES

OC(=O)C1CCC(CC1)C2=CC=C(Cl)C=C2

产品用途
阿托伐醌中间体
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