94142-97-9 (1,1-二氯-2,2-双(4-氯苯基)乙烯,2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione)

CAS号:
94142-97-9
中文名称:
1,1-二氯-2,2-双(4-氯苯基)乙烯
英文名称:
2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione
分子式:
C10H14O3
分子量:
182.216363430023

1,1-二氯-2,2-双(4-氯苯基)乙烯(94142-97-9)名称与标识符

名称

中文别名:
2-(1-羟基亚乙基)-5,5-二甲基-1,3-环己二酮;1,1-二氯-2,2-双(4-氯苯基)乙烯;
英文别名:
1,3-Cyclohexanedione,2-(1-hydroxyethylidene)-5,5-dimethyl-;(4,4-DIMETHYL-2,6-DIOXOCYCLOHEXYLIDENE)ETHYL ALCOHOL;2-(1-Hydroxyethylidene)-5,5-dimethylcyclohexane-1,3-dione;2-Acetyldimedone(4,4-dimethyl-2,6-dioxocyclohexylidene);DDE-OH;1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethanol;1,3-Cyclohexanedione,2-(1-hydroxyethylidene)-5,5-diMethyl;2-(1-HYDROXYETHYLIDENE)-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE;2,6-DICHLORO-3-FLUOROPHENACYL BROMIDE;2-acetyl-5,5'-dimethylcyclohexane-1,3-dione;2-ACETYLDIMEDONE;2-HYDROXYETHYL-5,5-DIMET;DDE;2-(1-Hydroxyethylidene)-5,5-dimethyl-1,3-cyclohexanedione (ACI);DdeOH;94142-97-9;INFBGIBBJNAITK-UHFFFAOYSA-N;1-Hydroxyethylidene)-5,5-dimethyl-1,3-cyclohexanedione;CS-0148547;2-acetyl-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one;2-Acetyl-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one #;AS-38344;2-acetyldimedone(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl-dde;2-(1-hydroxy-ethylidene)-5,5-dimethyl-cyclohexane-1,3-dione;SCHEMBL13191817;MFCD03001669;DTXSID00916293;SCHEMBL11609643;SY258094;1,3-Cyclohexanedione, 2-(1-hydroxyethylidene)-5,5-dimethyl-;AKOS002236317;1-Cyclohexen-3-one, 2-acetyl-1-hydroxy-5,5-dimethyl-;AC-14489;(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl alcohoc;

标识符

MDL:
MFCD03001669
InChIKey:
INFBGIBBJNAITK-UHFFFAOYSA-N
Inchi:
1S/C10H14O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h11H,4-5H2,1-3H3
SMILES:
O=C1CC(C)(C)CC(=O)/C/1=C(\C)/O

1,1-二氯-2,2-双(4-氯苯基)乙烯(94142-97-9)物化性质

实验特性

  • LogP : 1.77660
  • PSA : 54.37000
  • 折射率 : 1.49
  • 沸点 : 331 ℃ at 760mmHg
  • 熔点 : 36-40 °C
  • 闪点 : 168.2 ℃
  • 颜色与性状 : Pale-yellow to Yellow-brown Solid
  • 密度 : 1.108

计算特性

  • 精确分子量 : 182.09400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 182.094
  • 重原子数量 : 13
  • 复杂度 : 297
  • 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) : 1.5
  • 拓扑分子极性表面积 : 54.4A^2

1,1-二氯-2,2-双(4-氯苯基)乙烯(94142-97-9)安全信息

1,1-二氯-2,2-双(4-氯苯基)乙烯(94142-97-9)海关数据

海关编码:
2914400090
海关数据:

中国海关编码:

2914400090

概述:

2914400090 其他酮醇及酮醛。监管条件:无。增值税率:17.0%。退税率:9.0%。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:

2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

1,1-二氯-2,2-双(4-氯苯基)乙烯(94142-97-9)推荐厂家 更多厂家(39)

公司名称手机号/电话联系人QQ微信询单
郑州阿尔法化工有限公司 15324716602
0371-55013243
刘经理 2853979810
询单
湖北摆渡化学有限公司 13517219350
13517219350
彭星 1400878899
询单
江苏吉泰肽业科技有限公司 18762539991
0515-80855088
孙亭凤 435898806
询单
湖北成海化工有限公司 13986212397
027-59220433
张思胧 1400858822
询单
上海创赛科技有限公司 15021221957
021-59553580
凌度 2852351983
询单
湖北广奥生物科技有限公司 13657291602
13657291602
郭银 1098480033
询单
天门恒昌化工有限公司 15102714773
027-59322316
雷经理 1178380033
询单
湖北拓邦化工有限公司 15102763473
027-59106185
涂梦婷 1400868822/1248089955
询单
湖北达豪化工有限公司 13986246535刘紫莹 1400878822
询单
湖北万得化工有限公司 15827180502
027-59210159
陈丹丹 1148980033
询单

1,1-二氯-2,2-双(4-氯苯基)乙烯(94142-97-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Total and semisyntheses of polymyxin analogs with 2-Thr or 10-Thr modifications to decipher the structure-activity relationship and improve the antibacterial activity
Li, Jian; Guan, Dongliang; Chen, Feifei ; Shi, Weiwei; Lan, Lefu ; et al, Journal of Medicinal Chemistry, 2021, 64(9), 5746-5765
合成路线:1 步
反应条件:
参考文献:
Synthesis and Activity of a New Series of Antileishmanial Agents
Kanwar, Ankush; Eduful, Benjamin J.; Barbeto, Linda; Carletti Bonomo, Piero; Lemus, Andrea; et al, ACS Medicinal Chemistry Letters, 2017, 8(8), 797-801
合成路线:1 步
反应条件:
参考文献:
Preparation of heterocycles and their antimicrobial compositions, methods of use, and methods of treatment of infections
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Optical imaging by confocal fluorescence endomicroscopy using fluorescent dyes conjugated with dendrimers or using quenched dyes
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Single-molecule study of the synergistic effects of positive charges and Dopa for wet adhesion
Li, Yiran; Wang, Tiankuo; Xia, Lei; Wang, Lei; Qin, Meng; et al, Journal of Materials Chemistry B: Materials for Biology and Medicine, 2017, 5(23), 4416-4420
合成路线:1 步
反应条件:
参考文献:
High Throughput Physical Organic Chemistry: Analytical Constructs for Monomer Reactivity Profiling
Portal, Christophe; Launay, Delphine; Merritt, Andrew; Bradley, Mark, Journal of Combinatorial Chemistry, 2005, 7(4), 554-560
合成路线:1 步
反应条件:
参考文献:
Structurally Diverse Polyamines: Solid-Phase Synthesis and Interaction with DNA
Umezawa, Naoki; Horai, Yuhei; Imamura, Yuki; Kawakubo, Makoto; Nakahira, Mariko; et al, ChemBioChem, 2015, 16(12), 1811-1819
合成路线:1 步
反应条件:
参考文献:
Orthogonal Regioselective Synthesis of N-Alkyl-3-substituted Tetrahydroindazolones
Kim, Jonghoon; Song, Heebum; Park, Seung Bum, European Journal of Organic Chemistry, 2010, (20), 3815-3822
合成路线:1 步
反应条件:
参考文献:
N-1-(4,4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl (N-Dde) lipoamino acids
Ross, Benjamin P.; Falconer, Robert A.; Toth, Istvan, Molbank, 2008, (2),
合成路线:1 步
反应条件:
参考文献:
Palladium-mediated bioorthogonal conjugation of dual-functionalized nanoparticles and their cellular delivery
Thielbeer, Frank; Chankeshwara, Sunay V.; Johansson, Emma M. V.; Norouzi, Neil; Bradley, Mark, Chemical Science, 2013, 4(1), 425-431
合成路线:1 步
反应条件:
参考文献:
Preparation method of (2S)-4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]butanoic acid
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Introduction of Functional Groups into Peptides via N-Alkylation
Demmer, O.; Dijkgraaf, I.; Schottelius, M.; Wester, H.-J.; Kessler, H., Organic Letters, 2008, 10(10), 2015-2018
合成路线:1 步
参考文献:
Unusual behavior of triacetylmethanes in acylation reactions
Olekhnovich, L. P.; Simakov, V. I.; Zhdanov, Yu. A.; Minkin, V. I., Zhurnal Organicheskoi Khimii, 1984, 20(7), 1592-4