diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 基本信息
CAS号 1539-57-7 分子式 C20H25NO4
分子量 343.41700 精确质量  343.17800
PSA  64.63000 LogP  3.45150

基本信息 展开↓

CAS号:
1539-57-7
3D弹球模型:
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分子式:
C20H25NO4
分子量:
343.41700
英文名称:
diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
英文别名:
diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;
3,5-Pyridinedicarboxylic acid,1,4-dihydro-4-benzyl-2,6-dimethyl-,diethyl ester;
Diethyl 4-benzyl-2,6-dimethyl-1,4-dihydro-3,5-pyridine-dicarboxylate;
4-Benzyl-2,6-dimethyl-1,4-dihydro-pyridin-3,5-dicarbonsaeure-diaethylester;
Isocinchomeronic acid,1,4-dihydro-4-benzyl-2,6-dimethyl-,diethyl ester;
diethyl 2,6-dimethyl-4-benzyl-1,4-dihydropyridine-3,5-dicarboxylate;
4-benzyl-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester;
3,5-Pyridinedicarboxylic acid,4-benzyl-1,4-dihydro-2,6-dimethyl-,diethyl ester
精确分子量/精确质量:
343.17800
极性分子表面积/PSA:
64.63000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: JHHPUDNXDLHTHP-UHFFFAOYSA-N

物化性质展开↓

密度:
1.116g/cm3
沸点:
460.3ºC at 760mmHg
闪点:
232.2ºC
折射率:
1.532
蒸汽压:
1.18E-08mmHg at 25°C

安全信息展开↓

海关代码:
2933399090

合成路线查看所有的合成路线

  • 122-78-1

    苯乙醛

  • +

  • 141-97-9

    乙酰乙酸乙酯

  • +

  • 57-13-6

    尿素

  • ~75%

  • 1539-57-7

    diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

  • 626-34-6

    3-氨基巴豆酸乙酯

  • +

  • 36873-30-0

    2-benzyl-4,4,6-trimethyltetrahydro-(2H)-1,3-oxazine

  • ~73%

  • 1539-57-7

    diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

  • 122-78-1

    苯乙醛

  • +

  • 141-97-9

    乙酰乙酸乙酯

  • ~51%

  • 1539-57-7

    diethyl 4-benzyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
US7968000
CHEMICAL NAME :
3,5-Pyridinedicarboxylic acid, 4-benzyl-1,4-dihydro-2,6-dimethyl-, diethyl ester
CAS REGISTRY NUMBER :
1539-57-7
BEILSTEIN REFERENCE NO. :
0315717
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H25-N-O4
MOLECULAR WEIGHT :
343.46
WISWESSER LINE NOTATION :
T6M DHJ B1 CVO2 D1R& EVO2 F1

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 :
320 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#01365

海关数据查看详细

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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