1,3,3-三甲基-2-亚甲基吲哚啉 | 118-12-7
中文名称:
1,3,3-三甲基-2-亚甲基吲哚啉
英文名称:
1,3,3-Trimethyl-2-methyleneindoline
CAS No.:
118-12-7
分子式:
C1 2 H1 5 N
分子量:
173.2542
名称和标识符
MDL
MFCD00005813
InChIKey
ZTUKGBOUHWYFGC-UHFFFAOYSA-N
Inchi
1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3
SMILES
N1(C([H])([H])[H])C2=C([H])C([H])=C([H])C([H])=C2C(C([H])([H])[H])(C([H])([H])[H])C1=C([H])[H]
BRN
0131162
别名信息
- 中文别名 -
1,3,3-三甲基-2-亚甲基吲哚啉
三贝斯
1,3,3-Trimethyl-2-methyleneindoline 1,3,3-三甲基-2-亚甲基吲哚啉
1,3,3-三甲基-2-亚甲基吲哚
1-甲基环己烷羧酸
1,3,3-2-亚甲基吲哚啉
1,3,3-三甲基-2-亚甲基
1,3,3-三甲基-2-亚甲基2,3-二氢吲哚
2,3-二氢-1,3,3-三甲基-2-亚甲基-1H-吲哚
2-亚甲基-1,3,3-三甲基二氢吲哚
2-亚甲基-1,3,3-三甲基吲哚啉
2-亚甲基-1,3,3-三甲基吲哚啉,三贝斯
Fischer 碱
FISHER 碱
Fischer碱
1,3,3-三甲基-2-亚甲基吲哚啉,95%
FISCHER 碱
- 英文别名 -
1,3,3-Trimethyl-2-methyleneindoline
2-Methylene-1,3,3-trimethylindoline
3,3-Trimethyl-2-methyleneindoline
1,3,3-trimethyl-2-methylideneindole
2-Methylene-1,3,3-trimethylindoline,Fischer base
Fischer's Base
NSC 66176
FISCHER BASE
FISCHERS BASE
Trimethyl base
fischer’smethylenebase
Fischer'S methylene base
1,3,3-Trimethyl-2-methylenindol
1,3,3-Trimethyl-2-Methyleneindole
1,3,3-TRIMETHYL-2-METHYLENEINDOINE
1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-
Indoline, 2-methylene-1,3,3-trimethyl-
Indoline, 1,3,3-trimethyl-2-methylene-
ZTUKGBOUHWYFGC-UHFFFAOYSA-N
1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole
1,3,3-trimethyl-2-methylene-indoline
1,3-Dihydro-1,3,3-tri
FISCHER'S BASE
T0879
1,3-Dihydro-1,3,3-trimethyl-2-methyleneindoline
AKOS000119124
EN300-16764
TW7F4XW78N
NSC-66176
FT-0613040
NSC66176
5-20-07-00141 (Beilstein Handbook Reference)
1,3,3-Trimethyl-2-methyleneindoline, 97%
Fischers Base
Fischer's methylene base
LS-14079
AMY3795
118-12-7
2,3-Dihydro-1,3,3-trimethyl-2-methylene-1H-indole
InChI=1/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H
1,3,3-trimethyl-2-methylidene-indole
1,3,3-trimethyl-2-methyleneindole
T-6680
SCHEMBL918366
E78126
DTXSID8051596
CCRIS 6608
SCHEMBL8397425
MFCD00005813
NS00005231
1,3,3-Trimethyl-2-methyleneindoline, liquid, for paper chromatography, >=96.0%
A803883
WLN: T56 BNY DHJ B1 CU1 D1 D1
Fischer's base
Fischer base
EINECS 204-235-1
Indoline,3,3-trimethyl-
J-013592
F0001-0295
Z56769766
2-Methylene-1,3-trimethylindoline
1,3-Trimethyl-2-methyleneindoline
1,3,3-Trimethyl-2-methyleneindoline, 95%
BRN 0131162
98.5%,for paper chromatography
物化性质
实验特性
LogP
2.99270
PSA
3.24000
折射率
n20/D 1.577(lit.)
水溶性
可忽略
沸点
248°C(lit.)
熔点
-8 °C
闪点
华氏:145.4 °F 摄氏:63 °C
溶解度
negligible
颜色与性状
深红色液体
溶解性
易溶于热乙醇,溶于乙醇、氯仿、乙醚,不溶于水。
密度
0.979 g/mL at 25 °C(lit.)
计算特性
精确分子量
173.12000
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
0
同位素质量
173.120449
重原子数量
13
复杂度
229
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)
3.4
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
3.2
海关数据
海关编码
29339990
海关数据
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
生产方法和用途
方法
由苯肼与甲乙酮经缩合、闭环反应后,用甲苯磺酸甲酯进行甲基化,再用氨水中和而制得。将水、苯肼、硫酸投入反应锅,加热至80℃,滴加甲乙酮,加料温度控制在80-90℃。加毕,在90-100℃继续反应1.5h。冷至70℃,加入二甲苯,静置分去下层水,二甲苯层再用水洗一次。加入对甲苯磺酸甲酯,加热,在155-160℃反应3h,再在160-165℃反应3h,将反应物料在水中稀释,在70-90℃滴加20%氨水至pH值大于8。静置分层,将上层油层进行减压蒸馏,收集80℃(1.33-2.67kPa)以上馏分即为成品。收率约70%。
用途
用作阳离子染料中间体
该品可作染料中间体,用于制造阳离子金黄X-GL、阳离子桃红FG、阳离子艳红5-GN、阳离子红6B、阳离子大红3GL等。
染料中间体。
生产方法
由苯肼与甲乙酮经缩合、闭环反应后,用甲苯磺酸甲酯进行甲基化,再用氨水中和而制得。将水、苯肼、硫酸投入反应锅,加热至80℃,滴加甲乙酮,加料温度控制在80-90℃。加毕,在90-100℃继续反应1.5h。冷至70℃,加入二甲苯,静置分去下层水,二甲苯层再用水洗一次。加入对甲苯磺酸甲酯,加热,在155-160℃反应3h,再在160-165℃反应3h,将反应物料在水中稀释,在70-90℃滴加20%氨水至pH值大于8。静置分层,将上层油层进行减压蒸馏,收集80℃(1.33-2.67kPa)以上馏分即为成品。收率约70%。
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参考资料
Reaxys RN
131162
Beilstein
131162