3-Quinuclidinyl-4-iodobenzilate, (3R,R)-

Base Information

Chemical Name:3-Quinuclidinyl-4-iodobenzilate, (3R,R)-
CAS No.:137820-96-3
Molecular Formula:C₂₁H₂₂INO₃
Molecular Weight:463.315
Hs Code.:
UNII:H7J5VY37DS
Nikkaji Number:J491.410D,J582.699C

Synonyms:(R,R)-Iqnb;H7J5VY37DS;UNII-H7J5VY37DS;3-Quinuclidinyl-4-iodobenzilate, (3R,R)-;137820-96-3;Benzeneacetic acid, alpha-hydroxy-4-iodo-alpha-phenyl-, (3R)-1-azabicyclo(2.2.2)oct-3-yl ester, (alphaR)-;Benzeneacetic acid, alpha-hydroxy-4-iodo-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester, (R-(R*,R*))-;SCHEMBL9145154;(R,R)-Quinuclidinyl iodobenzilate;(r,r)-3-quinuclidinyl 4-iodobenzilate;(R)-4-Iodobenzilic acid (R)-3-quinuclidinyl ester;BENZENEACETIC ACID, .ALPHA.-HYDROXY-4-IODO-.ALPHA.-PHENYL-, (3R)-1-AZABICYCLO(2.2.2)OCT-3-YL ESTER, (.ALPHA.R)-;BENZENEACETIC ACID, .ALPHA.-HYDROXY-4-IODO-.ALPHA.-PHENYL-, 1-AZABICYCLO(2.2.2)OCT-3-YL ESTER, (R-(R*,R*))-

Suppliers and Price of 3-Quinuclidinyl-4-iodobenzilate, (3R,R)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 3-Quinuclidinyl-4-iodobenzilate, (3R,R)-

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:463.06444
Heavy Atom Count:26
Complexity:494

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)I)O
Isomeric SMILES:C1CN2CCC1[C@H](C2)OC(=O)[C@@](C3=CC=CC=C3)(C4=CC=C(C=C4)I)O

Technology Process of 3-Quinuclidinyl-4-iodobenzilate, (3R,R)-

There total 6 articles about 3-Quinuclidinyl-4-iodobenzilate, (3R,R)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

: 137820-95-2
(R)-α-hydroxy-α-(4-iodophenyl)-α-phenylacetic acid

: 530-62-1
1,1'-carbonyldiimidazole

: 25333-42-0
(R)-quinuclidin-3-ol

: 137820-96-3
(R,R)-IQNB

Guidance literature:: In N-methyl-acetamide; dichloromethane; water;

Reference yield:

: 145264-99-9
(R)-(-)-1-azabicyclo[2.2.2]oct-3-yl-(R)-(+)-α-hydroxy-α-(4-bromophenyl)-α-phenylacetate

: 137820-96-3
(R,R)-IQNB

Guidance literature:: With tin (II) sulfate; [¹²³I] sodium iodide; copper(l) chloride; ascorbic acid; In ethanol; at 132 ℃; for 1h;
DOI:10.1002/(SICI)1099-1344(199611)38:11<1047::AID-JLCR914>3.0.CO;2-4

Reference yield:

: 126923-27-1
(R)-(+)-α-hydroxy-α-(4-nitrophenyl)-α-phenylacetic acid

: 137820-96-3
(R,R)-IQNB

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / hydrazine / Raney-Ni / ethanol / 18 h / Ambient temperature

2: 1.) sodium nitrite, aq. HCl, 2.) KI / 1.) 0 deg C, 30 min, 2.) water, a) 0 deg C, 1 h, b) RT, 1 h

3: 1.) 1,1'-carbonyldiimidazole / 1.) DMF, RT, 1 h, 2.) DMF, RT, 15 h

With hydrogenchloride; 1,1'-carbonyldiimidazole; potassium iodide; hydrazine; sodium nitrite; nickel; In ethanol;
DOI:10.1016/S0957-4166(00)82085-6