홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Hydrochloric Acid → 3-Chloro-1,2-propanediol

HRID 2095224
노트
인쇄 미리보기

반응식

HRID 2095224 반응식
[Cl:1][CH2:2][CH:3]([OH:6])[CH2:4][OH:5].[O:7]=[C:8]([NH:33][C:34]1[C:35]([I:53])=[C:36]([C:50]([NH2:52])=[O:51])[C:37]([I:49])=[C:38]([C:41]([NH:43][CH2:44][CH:45]([OH:48])[CH2:46][OH:47])=[O:42])[C:39]=1[I:40])[CH2:9][C:10]([NH:12][C:13]1[C:14]([I:32])=[C:15]([C:29]([NH2:31])=[O:30])[C:16]([I:28])=[C:17]([C:20]([NH:22][CH2:23][CH:24]([OH:27])[CH2:25][OH:26])=[O:21])[C:18]=1[I:19])=[O:11].Cl.[OH-].[Na+].[Cl-].[Cl-].[Ca+2:59].O.[Cl:61][CH2:62][CH:63]([OH:66])[CH2:64][OH:65].O>O.C(O)(=O)C>[Cl-:1].[Cl-:61].[Ca+2:59].[Cl:1][CH2:2][CH:3]([OH:6])[CH2:4][OH:5].[O:11]=[C:10]([N:12]([C:13]1[C:14]([I:32])=[C:15]([C:29]([NH2:31])=[O:30])[C:16]([I:28])=[C:17]([C:20]([NH:22][CH2:23][CH:24]([OH:27])[CH2:25][OH:26])=[O:21])[C:18]=1[I:19])[CH2:62][CH:63]([OH:66])[CH2:64][OH:65])[CH2:9][C:8]([N:33]([C:34]1[C:35]([I:53])=[C:36]([C:50]([NH2:52])=[O:51])[C:37]([I:49])=[C:38]([C:41]([NH:43][CH2:44][CH:45]([OH:48])[CH2:46][OH:47])=[O:42])[C:39]=1[I:40])[CH2:2][CH:3]([OH:6])[CH2:4][OH:5])=[O:7]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

11

반응물 6

HCID 313Hydrochloric AcidHCID 72903-Chloro-1,2-propanediolHCID 14798Sodium Hydroxide3회HCID 16211463Calcium chloride monohydrateHCID 441980955,5'-[(1,3-Dioxo-1,3-propanediyl)diimino]bis[n-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide]HCID 88614842HCID 88614842, 화합물

생성물 3

HCID 72903-Chloro-1,2-propanediolHCID 213045IosimenolHCID 5284359Calcium Chloride

시약·촉매·용매 2

HCID 176Acetic Acid용매HCID 962Water용매4회

반응 조건

온도
50 °C

실험 절차

A CaCl2 solution was prepared by dissolving CaCl2.2H2O (233 kg) in water (723 kg). A 3-chloro-1,2-propanediol (CPD) solution was prepared by dissolving 3-chloro-1,2-propanediol (176 kg) in water (176 kg). The 4000 L glass-lined reactor was charged with water (907 kg) and 5,5′-[(1,3-dioxo-1,3-propanediyl)diimino]bis[N-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide] (563 kg). The pH of the slurry was adjusted to 5.5 to 7.0 with 37% HCl or 30% NaOH as needed. 50% NaOH solution (128 kg) was charged to the reaction mixture while maintaining its temperature to <30° C. The CaCl2/water solution and then the CPD/water solution were each charged to the reaction mixture. The reaction mixture was then heated at 50° C. and stirred for 6 hours. 50% NaOH was added as needed to maintain the pH of the reaction at 10. When the reaction was complete, acetic acid (28 kg) was added to adjust the pH of the reaction mixture to 5. Using a jacket temperature of 75° C., water (1682 kg) was distilled off under vacuum. While cooling to 10° C., ethanol (2585 kg) was added to the residue in the reaction vessel. After stirring at 10° C. for 2 hours, the crude solid was collected by filtration. The solids were washed with ethanol (500 kg). The crude solid was dried at 55° C. under vacuum to give 783 kg of crude 5,5′-[(1,3-dioxo-1,3-propanediyl)bis[(2,3-dihydroxypropyl)imino]]bis[N-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide]. The crude product contained 55% w/w 5,5′-[(1,3-dioxo-1,3-propanediyl)bis[(2,3-dihydroxypropyl)imino]]bis[N-(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide] which had a chromatographic purity of 77 area %.

후처리

  1. temperaturewhile maintaining its temperature to <30° C
  2. additioneach charged to the reaction mixture
  3. temperatureto maintain
  4. customthe pH of the reaction at 10
  5. distillationwas distilled off under vacuum
  6. temperatureWhile cooling to 10° C.
  7. additionethanol (2585 kg) was added to the residue in the reaction vessel
  8. stirringAfter stirring at 10° C. for 2 hours
  9. filtrationthe crude solid was collected by filtration
  10. washThe solids were washed with ethanol (500 kg)
  11. customThe crude solid was dried at 55° C. under vacuum

출처 및 근거

ORD 기록
ord-8cd5e210792b486ea9a96040c11df18f
출처 데이터셋
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08445725B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트