3-Chlorobenzaldehyde → HCID 59778168, compound

HRID 1643896Notes

Reaction equation

[NH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][CH:3]([NH:11][S:12]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)(=[O:14])=[O:13])[CH2:2]1.[Cl:21][C:22]1[CH:23]=[C:24]([CH:27]=[CH:28][CH:29]=1)[CH:25]=O>>[Cl:21][C:22]1[CH:23]=[C:24]([CH:27]=[CH:28][CH:29]=1)[CH2:25][N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][CH:3]([NH:11][S:12]([C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)(=[O:13])=[O:14])[CH2:2]1

Participants

Reactant 2

HCID 114773-Chlorobenzaldehyde

HCID 18177121HCID 18177121, compound

Product 1

HCID 59778168HCID 59778168, compound

Procedure

The title compound was prepared from 162B and 3-chlorobenzaldehyde by procedures analogous to those described in Example 22A. HPLC: 99% at 3.94 min (retention time) (Conditions: Phenom Prime S5, C18 (4.6×50 mm); Eluted with 0% to 100% B, 4 min gradient (A=90% H2O−10% MeOH−0.1% TFA and B=10% H2O−90% MeOH−0.1% TFA); Flow rate at 4.0 mL/min, UV detection at 220 nm). MS (ES): m/z 413 [M+H]+.

Workup

washEluted with 0% to 100% B, 4 min gradient (A=90% H2O−10% MeOH−0.1% TFA and B=10% H2O−90% MeOH−0.1% TFA)

Sources & evidence

ORD record: ord-2baef66471f04435b565655d3822e690
Source dataset: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08119808B2

Reaction notes

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