79617-95-1 ((1R,4R)-rel-4-(3,4-二氯苯基)-1,2,3,4-四氢-N-甲基-1-萘胺,cis-Sertraline)

CAS号:
79617-95-1
中文名称:
(1R,4R)-rel-4-(3,4-二氯苯基)-1,2,3,4-四氢-N-甲基-1-萘胺
英文名称:
cis-Sertraline
分子式:
C17H17Cl2N
分子量:
306.229582548141

(1R,4R)-rel-4-(3,4-二氯苯基)-1,2,3,4-四氢-N-甲基-1-萘胺(79617-95-1)名称与标识符

名称

中文别名:
RAC-CIS-舍曲林;(1R,4R)-rel-4-(3,4-二氯苯基)-1,2,3,4-四氢-N-甲基-1-萘胺;外消旋顺式盐酸舍曲林;
英文别名:
1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1R,4R)-rel-;cis-sertraline;rac-cis-Sertraline H;rac-cis-Sertraline Hydrochloride;1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, cis-;1-Naphthalenamine,4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, cis-(?à)-;cis-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine;cis-N-Methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthaleneamine;CPD000466298;Sertraline HCl;Tox21_500870;(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthylamine hydrochloride;HY-B0176A;Z1544404500;NSC-758948;SERTRALINE HYDROCHLORIDE [VANDF];1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, (1S-cis)-;CP-51974-1;(+)-sertraline hydrochloride;Tresleen;Sertraline hydrochloride;UTI8907Y6X;SERTRALINE HYDROCHLORIDE (USP MONOGRAPH);Sertraline hydrochloride [USAN:USP];Sertraline Hydrochloride (1S-cis)-Isomer;SERTRALINE HYDROCHLORIDE [USP MONOGRAPH];(1 s-cis)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphathalenamine hydrochloride;SCHEMBL23230;SMR000466298;NC00726;NCGC00092386-03;S4053;NSC-746308;1-Naphthalenamine,?4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, (1S,4S)-, hydrochloride?(1:1);SERTRALINE HYDROCHLORIDE [EP MONOGRAPH];Sertraline hydrochloride (USAN:USP);(1R,4S)-SERTRALINE HCL;Cis-N-Methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenaminehydrochloride;Sertraline for system suitability, European Pharmacopoeia (EP) Reference Standard;O12070;HMS1922P09;SERTRALINE HYDRECHLORIDE;C17H18Cl3N;(1S,4S)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine HCl;NSC746308;(1S-cis)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride;EN300-122632;Gladem;(1s-cis)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphathalenamine hydrochloride;(+/-)-Sertraline Hydrochloride;CP-51974-1 HCl;AKOS015846322;EU-0100870;Sertraline.HCl, 1mg/ml in Methanol;DTXCID9020243;NC00198;SERTRALINE HYDROCHLORIDE [WHO-DD];SERTRALINE HYDROCHLORIDE [MI];Sertraline hydrochloride, >=98% (HPLC);Sertraline hydrochloride- Bio-X;BLFQGGGGFNSJKA-XHXSRVRCSA-N;KS-1111;Sertraline hydrochloride (JAN/USP);MFCD00895772;(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride;D00825;SPECTRUM1505262;Tatig;CAS-79559-97-0;(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthylamine monohydrochloride;NCGC00092386-01;CHEMBL1709;SERTRALINE HYDROCHLORIDE (MART.);(1S,4S)-4-(3,4-Dichlorophenyl)-1,2, 3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride;SERTRALINE HYDROCHLORIDE [USP-RS];Sertraline hydrochloride impurity Standard;SERTRALINE HYDROCHLORIDE [EP IMPURITY];Sertraline Hydrochloride (1.0 mg/mL in Methanol);Sertraline for system suitability;BS164399;Pharmakon1600-01505262;UNII-UTI8907Y6X;Zoloft;Sertraline.HCl;Q27108281;Sertraline hydrochloride, European Pharmacopoeia (EP) Reference Standard;Serlift;NCGC00261555-01;[(1S,4S)-4-(3,4-DICHLORO-PHENYL)-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL]-METHYL-AMINE HYDROCHLORIDE;(+)-cis-(1S,4S)-1-methylamino-4-(3,4-dichlorophenyl)tetralin hydrochloride;79559-97-0;Sertraline hydrochloride [USAN];(1R,4S)-Sertraline Hydrochloride;(1s,4s)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenaminehydrochloride;C17H17Cl2N.HCl;NCGC00092386-13;MLS000758929;NSC 758948;Aremis;Sertraline hydrochloride, British Pharmacopoeia (BP) Reference Standard;Sertraline for peak identification, European Pharmacopoeia (EP) Reference Standard;Zoloft (TN);AC-740;Tox21_111199_1;Tox21_111199;Atruline;rac-Sertraline Hydrochloride ((1RS,4RS)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Hydrochloride);CHEBI:9124;(1S-cis)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride;Sertraline hydrochloride, United States Pharmacopeia (USP) Reference Standard;SERTRALINE HYDROCHLORIDE (EP IMPURITY);CCG-39575;(1S,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthyl(methyl)amine hydrochloride;SERTRALINE HYDROCHLORIDE [JAN];79617-95-1;Cp-51,974-1;Serad;Sertraline (hydrochloride);AKOS005267232;CP-5197401;Hydrochloride, Sertraline;SERTRALINE HYDROCHLORIDE [MART.];(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-aminium chloride;SERTRALINE HYDROCHLORIDE (USP-RS);NSC 746308;(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride;NSC758948;Sertraline (as hydrochloride);HB1717;NS00076189;Sertraline Hydrochloride 1.0 mg/ml in Methanol (as free base);MLS001401398;Sertraline for peak identification;SERTRALINE HYDROCHLORIDE (EP MONOGRAPH);Cp 51,974-1;Lustral;LP00870;SERTRALINE HYDROCHLORIDE [ORANGE BOOK];CS-2052;A839713;(1R,4R)-rel-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride (1:1); cis-N-Methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthaleneamine hydrochloride; cis-(+/-)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine hydrochloride; (+/-)-Sertraline hydrochloride;DTXSID1040243;(1RS,4SR)-4-(3,4-Dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Hydrochloride;(1S,4S)-1-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-4-(methylamino)naphthalene Hydrochloride;Adjuvin;1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, cis-(±)- (ZCI);rel-(1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine (ACI);(±)-Sertraline;1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, cis-;(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride;79896-32-5;Sertraline.HCl, 1mg/ml in Methanol (as free base);GLXC-04105;

标识符

InChIKey:
VGKDLMBJGBXTGI-SJCJKPOMSA-N
Inchi:
1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
SMILES:
N([C@H]1CC[C@@H](C2C=CC(Cl)=C(Cl)C=2)C2C=CC=CC1=2)C

(1R,4R)-rel-4-(3,4-二氯苯基)-1,2,3,4-四氢-N-甲基-1-萘胺(79617-95-1)物化性质

实验特性

  • LogP : 5.57050
  • PSA : 12.03000
  • 沸点 : 907.7°C at 760 mmHg
  • 熔点 : 270-273?C
  • 闪点 : 502.8°C
  • 颜色与性状 : 白色至 灰白色粉末
  • 密度 : 1.25

计算特性

  • 精确分子量 : 305.074
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 305.074
  • 重原子数量 : 20
  • 复杂度 : 322
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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
  • 拓扑分子极性表面积 : 12A^2

(1R,4R)-rel-4-(3,4-二氯苯基)-1,2,3,4-四氢-N-甲基-1-萘胺(79617-95-1)推荐厂家 更多厂家(5)

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程舒畅 2885409691
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021-34536277
顾经理 3003949364
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
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阿拉丁 3004013043
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(1R,4R)-rel-4-(3,4-二氯苯基)-1,2,3,4-四氢-N-甲基-1-萘胺(79617-95-1)合成路线

合成路线:1 步
反应条件:
参考文献:
Process for the preparation of cis-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthalenamine and analogs
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Manganese-catalysed benzylic C(sp3)-H amination for late-stage functionalization
Clark, Joseph R.; Feng, Kaibo ; Sookezian, Anasheh; White, M. Christina, Nature Chemistry, 2018, 10(6), 583-591
合成路线:1 步
反应条件:
参考文献:
Synthesis of Dihydronaphthalenes via Aryne Diels-Alder Reactions: Scope and Diastereoselectivity
Dockendorff, Chris; Sahli, Stefan; Olsen, Madeline; Milhau, Ludovic; Lautens, Mark, Journal of the American Chemical Society, 2005, 127(43), 15028-15029
合成路线:1 步
反应条件:
参考文献:
Palladium-Catalyzed Dearomative syn-1,4-Carboamination with Grignard Reagents
Tang, Conghui; Okumura, Mikiko; Zhu, Yunbo; Hooper, Annie R.; Zhou, Yu; et al, Angewandte Chemie, 2019, 58(30), 10245-10249
合成路线:1 步
反应条件:
参考文献:
Intermolecular Radical C(sp3)-H Amination under Iodine Catalysis
Bosnidou, Alexandra E. ; Muniz, Kilian, Angewandte Chemie, 2019, 58(22), 7485-7489

(1R,4R)-rel-4-(3,4-二氯苯基)-1,2,3,4-四氢-N-甲基-1-萘胺(79617-95-1)参考资料

Reaxys RN:
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