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Basic information
- CAS
208464-41-9- Standard SMILES
CN1CCC[C@H]1Cc1c[nH]c2ccc(Br)cc12- InChIKey
JCXOJXALBTZEFE-LBPRGKRZSA-N- Molecular formula
- C14H17BrN2
- Average molar mass
- 293.2 g/mol
- Monoisotopic mass
- 292.05751064
Names & identifiers
- Preferred name
- (S)-5-Bromo-3-((1-methylpyrrolidin-2-YL)methyl)-1H-indole
- IUPAC
- 5-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
- English name
- (S)-5-broMo-3-((1-Methylpyrrolidin-2-yl)Methyl)-1H-indole
- Molecular formula
- C14H17BrN2
- Molecular weight
- 293.2
Names & synonyms
208464-41-9(S)-5-BROMO-3-((1-METHYLPYRROLIDIN-2-YL)METHYL)-1H-INDOLE1H-Indole, 5-bromo-3-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-5-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole5-bromo-3-{[(2S)-1-methylpyrrolidin-2-yl]methyl}-1H-indoleJCXOJXALBTZEFE-LBPRGKRZSA-NSCHEMBL2182107DTXSID70649546CS-M0158MFCD18207001AKOS025401607AC-22724
Show more names
5-bromo-3-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-1H-Indole
CS-14198F788521(S)-5-bromo-3-[(N-methylpyrrolidin-2-yl)methyl]-l H-indole5-bromo-3-(((s)-1-methylpyrrolidin-2-yl)methyl)-1h-indole
Database identifiers
- CAS
208464-41-9- PubChem CID
- 25272002
- DTXSID
DTXSID70649546
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 412.9 · 412.9±25.0 °C(Predicted)
- Density
- 1.418 · 1.418±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- DCM, Methanol
- pka
- 16.28 · 16.28±0.30(Predicted)
- form
- Oil
- color
- Brown
Chemistry & industry
Applications
Uses5-Bromo-3-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole is an intermediate in the synthesis of ent-Eletriptan (E505005), an enantiomeric impurity of the serotonin 5-HTIB/ID receptor agonist Eletriptan (E505000).
Suppliers14 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
AbaChemScene732-484-9848 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司
Related reactions
2 records
Compound notes
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