3,3,3-Trifluoropropionic acid → HCID 86660414, compound

HRID 1186154Notes

Reaction equation

HRID 1186154 reaction equation
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([F:19])=[C:6]([C@:8]2([CH3:18])[CH2:14][C:13]([CH3:16])([CH3:15])[O:12][CH2:11][C:10](=[S:17])[NH:9]2)[CH:7]=1.[F:20][C:21]([F:27])([F:26])[CH2:22][C:23](O)=[O:24]>>[F:20][C:21]([F:27])([F:26])[CH2:22][C:23]([NH:1][C:2]1[CH:3]=[CH:4][C:5]([F:19])=[C:6]([C@:8]2([CH3:18])[CH2:14][C:13]([CH3:16])([CH3:15])[O:12][CH2:11][C:10](=[S:17])[NH:9]2)[CH:7]=1)=[O:24]

Participants

3

Reactant 2

HCID 27779723,3,3-Trifluoropropionic acidHCID 58562953HCID 58562953, compound

Product 1

HCID 86660414HCID 86660414, compoundYield 54.8%

Procedure

The compound was prepared in an analogous manner as described for intermediate B14A from (S)-5-(5-amino-2-fluoro-phenyl)-5,7,7-trimethyl-[1,4]oxazepane-3-thione (intermediate A′7A) (94 mg, 0.33 mmol) and commercially available 3,3,3-trifluoropropionic acid [CAS-no 2516-99-6] (50 mg, 0.39 mmol). The compound was obtained as light yellow foam (71 mg, 46%). MS (ISP): m/z=393.1 [(M+H)+].

Workup

  1. customThe compound was prepared in an analogous manner

Sources & evidence

ORD record
ord-2c4e457682f5411fb88f228dfd9e2b7e
Source dataset
uspto-grants-2014_03
Patent number
US08673894B2

Reaction notes

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