Chirald

Base Information

• Chemical Name: Chirald
• CAS No.: 38345-66-3
• Molecular Formula: C19H25 N O
• Molecular Weight: 283.414
• Hs Code.: 2922199090
• European Community (EC) Number: 253-893-6
• UNII: 5917USS6PV
• DSSTox Substance ID: DTXSID70273961
• Nikkaji Number: J89.228I
• Wikidata: Q27261634
• Mol file: 38345-66-3.mol

Synonyms:oxiphene;oxiphene hydrochloride;oxiphene, (R*,S*)-(+-)-isomer;oxiphene, (S-(R*,S*))-isomer

Chemical Property of Chirald

Chemical Property:

• Appearance/Colour: WHITE TO YELLOW POWDER, CRYSTALS OR SOLID
• Vapor Pressure: 9.29E-08mmHg at 25°C
• Melting Point: 54-56 °C(lit.)
• Boiling Point: 418.7 °C at 760 mmHg
• Flash Point: 160.2 °C
• PSA: 23.47000
• Density: 1.043 g/cm³
• LogP: 3.31460
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 283.193614421
• Heavy Atom Count: 21
• Complexity: 292

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chirald? 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CN(C)C)C(CC1=CC=CC=C1)(C2=CC=CC=C2)O
• Isomeric SMILES: C[C@H](CN(C)C)[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)O
• Uses: Reducing reagent in organic synthesis.

Technology Process of Chirald

There total 11 articles about Chirald 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:

Acetic acid 1-benzyl-3-dimethylamino-2-methyl-1-phenyl-propyl ester; hydrochloride → (+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol (126-04-5,38345-66-3,52079-40-0,52079-41-1,63957-11-9,72541-03-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/jr9650004092

Reference yield:

→ (+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol (126-04-5,38345-66-3,52079-40-0,52079-41-1,63957-11-9,72541-03-8)

Guidance literature:

(+)-Mannichbase (III), Benzylchlorid/Mg;

Reference yield:

(2RS,3SR)-4-dimethylamino-3-methyl-1,2-diphenyl-butan-2-ol (126-04-5,38345-66-3,52079-40-0,52079-41-1,63957-11-9,72541-03-8) → (2S,3R)-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol (38345-66-3)

Guidance literature:

With camphor-10-sulfonic acid;

DOI:10.1021/ja01617a081

upstream raw materials:

(2RS,3SR)-4-dimethylamino-3-methyl-1,2-diphenyl-butan-2-ol

dimethyl amine

p-toluenesulfonyl chloride

formaldehyd

Downstream raw materials:

(2R,3S)-(-)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol

(1'S,2'R)-2-(1'-benzyl-3'-dimethylamino-2'-methyl-1'-phenyl-propoxy)dinaphtho[2,1-d:1',2'-f](1,3,2) dioxaphosphepine

α-butyl-α-hydroxy phenyl methyl ester

(E)-1,2-diphenyl-2-butene

Refernces

• 1、 -. "Haptens and tracers for immunoassays for propoxyphene". . . Retrieved 2008/06/13.
• 2、 Turner,Booher,Smits,Pohland. "Synthesis of two metabolites of (+) propoxyphene". . p. 1065 - 1068. Retrieved 2007/10/05.