Thionyl Chloride → HCID 86748032, compound

HRID 1741566Notes

Reaction equation

HRID 1741566 reaction equation
O[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([CH:9]=[CH:10][C:11]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[N:14]=[CH:13][CH:12]=2)=[CH:5][CH:4]=1.O=S(Cl)[Cl:23]>>[ClH:23].[Cl:23][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([CH:9]=[CH:10][C:11]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[NH+:14]=[CH:13][CH:12]=2)=[CH:5][CH:4]=1

Participants

3

Reactant 2

HCID 24386Thionyl ChlorideHCID 53663034HCID 53663034, compound

Product 1

HCID 86748032HCID 86748032, compound

Procedure

1 mM of (1) was added to an excess of SOCl2 and stirred for three hours. Product was precipitated with Et2O, filtered and dried in vacuo. Yield of the yellow crystals was 0.242 g (86%) mp=260° C. (decomposed). Elemental analysis (Theoretical: C=68.37, H=4.78. N=4.43 and Cl=22.42. Actual: C=67.21, H=4.69, N=4.33, and Cl=22.00) and NMR(CDCl3 /CD3OD; 200 MHz) confirmed structure. The resulting product (2) was exposed to light (OLITE AL 53/100, 5 kw, L1261 lamp at 40 in).

Workup

  1. customProduct was precipitated with Et2O
  2. filtrationfiltered
  3. customdried in vacuo

Sources & evidence

ORD record
ord-ca3b86514c4c4570b7bdcba1ebde7936
Source dataset
uspto-grants-1994_08
Patent number
US05334485

Reaction notes

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