CAS No.146145-21-3,RTI 121 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	146145-21-3
Name:	RTI 121
Article Data:	2

Formula:	C18H24 I N O2
Molecular Weight:	413.299
Synonyms:	8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(4-iodophenyl)-8-methyl-, 1-methylethyl ester, [1R-(exo,exo)]-;
Density:	1.418g/cm³
Boiling Point:	426.9°Cat760mmHg
Flash Point:	212°C
PSA:	29.54000
LogP:	3.74700

Synthetic route

: 180057-11-8
(1R,2S,3S,5S)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carbonyl chloride

: 67-63-0
isopropyl alcohol

: 146145-21-3
3β-(4'-iodophenyl)tropane-2β-carboxylic acid isopropyl ester

: 135416-43-2
(1R,2S,3S,5S)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester

: 146145-21-3
3β-(4'-iodophenyl)tropane-2β-carboxylic acid isopropyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: H2O / dioxane 2: SOCl2 View Scheme

: 141807-58-1
RTI 102

: 146145-21-3
3β-(4'-iodophenyl)tropane-2β-carboxylic acid isopropyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SOCl2 View Scheme

: 146145-21-3
3β-(4'-iodophenyl)tropane-2β-carboxylic acid isopropyl ester

: 155337-51-2
RTI 153

Conditions

Conditions	Yield
With carbonochloridic acid 1-chloro-ethyl ester In 1,2-dichloro-ethane for 28h; Heating;	65%

Raw Materials

141807-58-1

67-63-0

135416-43-2

Total:21 Page 1 of 1 1

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Specification

The RTI 121,with the CAS registry number 146145-21-3.It belongs to the product categories of Heterocycles.This chemical's molecular formula is C₁₈H₂₄INO₂ and molecular weight is 413.29.What's more, its systematic name is Isopropyl (1S,2S,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.

Physical properties about RTI 121 are:(1)ACD/LogP: 3.658 # of Rule of 5 Violations: 0; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): 1.20; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.24; (6)ACD/KOC (pH 5.5): 1.93; (7)ACD/KOC (pH 7.4): 8.10; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 96.135 cm³; (13)Molar Volume: 291.264 cm³; (14)Surface Tension: 41.9049987792969; (15)dyne/cm Density: 1.419 g/cm³; (16)Flash Point: 211.981 °C; (17)Enthalpy of Vaporization: 68.178 kJ/mol; (18)Boiling Point: 426.898 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Ic1ccc(cc1)[C@H]2CC3N(C)[C@H]([C@H]2C(=O)OC(C)C)CC3;
(2)InChI:InChI=1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14?,15-,16+,17+/m1/s1;
(3)InChIKey:ZAQLTGAFVMGUMB-HIGTXEFZSA-N.