Home Cart 0 Sign in  

[ CAS No. 2033-29-6 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 2033-29-6
Chemical Structure| 2033-29-6
Structure of 2033-29-6 *Storage: {[proInfo.prStorage]}

Quality Control of [ 2033-29-6 ]

Related Doc. of [ 2033-29-6 ]

SDS
Alternatived Products of [ 2033-29-6 ]
Alternatived Products of [ 2033-29-6 ]

Product Details of [ 2033-29-6 ]

CAS No. :2033-29-6MDL No. :MFCD12963764
Formula : C7H4Cl2N2O Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :203.03Pubchem ID :-
Synonyms :

Computed Properties of [ 2033-29-6 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 2033-29-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H320-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2033-29-6 ]

  • Upstream synthesis route of [ 2033-29-6 ]
  • Downstream synthetic route of [ 2033-29-6 ]

[ 2033-29-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 2033-29-6 ]
  • [ 16865-11-5 ]
YieldReaction ConditionsOperation in experiment
90%
Stage #1: for 3 h; Reflux
Stage #2: With sodium hydroxide In water at 20℃;
Thoroughly dried 5,6-dichloro- 1 ,3-dihydro-benzoimidazol-2-one (28.4 g, 0.14 mol) was suspended in POCI3 (75 ml_). The reaction solution was heated to reflux temperature for 3 hours and cooled to room temperature. The solution was poured into crushed ice/water (1.5 L) slowly with sufficient stirring. The solution was neutralized to pH = 7.0 with NaOH. The precipitated solid was collected by filtration, washed with water, and dried to afford the title compound (27.9 g, 90percent). The crude product was used in the following reaction without further purification.
71% at 120℃; for 2 h; a screw-cap pressure tube (b) Preparation of the intermediary compound 2,5,6-trichloro-l -benzo[d]imidazole:To 5,6-dichloro-lH-benzo[d]imidazol-2(3H)-one (1.0 g, 4.5 mmol) was added phosphoryl trichloride (4 mL) and the reaction mixture was heated in a screw-cap pressure tube at 12O0C for 2 hours. The reaction mixture was concentrated in vacuo, the residue was diluted with water (30 mL) and the resulting off-white solid was filtered off. The precipitate was washed with water (3x20 mL) and dried under high vacuum to afford 0.77 g (71 percent yield) of 2,5,6-trichloro-lH- benzo[d]imidazole.
71% at 120℃; for 2 h; To 5,6-dichloro-lH-benzo[d]imidazol-2(3H)-one (1.0 g, 4.5 mmol) was added phosphoryl trichloride (4 mL) and the reaction mixture was heated in a screw-cap pressure tube at 120°C for 2 hours. The reaction mixture was concentrated in vacuo, the residue was diluted with water (30 mL) and the resulting off-white solid was filtered off. The precipitate was washed with water (3 x20 mL) and dried under high vacuum to afford 0.77 g (71 percent yield) of 2,5,6-trichloro-lH- benzo[d]imidazole.
Reference: [1] Patent: WO2009/134750, 2009, A1, . Location in patent: Page/Page column 60
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 15, p. 7188 - 7211
[3] Patent: WO2011/23812, 2011, A1, . Location in patent: Page/Page column 69
[4] Patent: WO2012/117062, 2012, A1, . Location in patent: Page/Page column 29
[5] Journal of Medicinal Chemistry, 1997, vol. 40, # 4, p. 586 - 593
[6] Patent: EP1698635, 2006, A1, . Location in patent: Page/Page column 28
[7] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 18, p. 5010 - 5014
[8] European Journal of Medicinal Chemistry, 2009, vol. 44, # 3, p. 1024 - 1033
[9] Patent: WO2013/63221, 2013, A1, . Location in patent: Page/Page column 29
[10] Patent: WO2008/129007, 2008, A1, . Location in patent: Page/Page column 35-36
Historical Records

Related Functional Groups of
[ 2033-29-6 ]

Chlorides

Chemical Structure| 392708-72-4

[ 392708-72-4 ]

1,1'-(1,2-Phenylene)bis(3-(3-chlorophenyl)urea)

Similarity: 0.95

Chemical Structure| 2034-23-3

[ 2034-23-3 ]

5-Chloro-1H-benzo[d]imidazol-2(3H)-one

Similarity: 0.95

Chemical Structure| 3567-62-2

[ 3567-62-2 ]

1-(3,4-Dichlorophenyl)-3-methylurea

Similarity: 0.93

Chemical Structure| 4300-43-0

[ 4300-43-0 ]

1,3-Bis(3,4-dichlorophenyl)urea

Similarity: 0.93

Chemical Structure| 101-20-2

[ 101-20-2 ]

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea

Similarity: 0.93

Amides

Chemical Structure| 392708-72-4

[ 392708-72-4 ]

1,1'-(1,2-Phenylene)bis(3-(3-chlorophenyl)urea)

Similarity: 0.95

Chemical Structure| 2034-23-3

[ 2034-23-3 ]

5-Chloro-1H-benzo[d]imidazol-2(3H)-one

Similarity: 0.95

Chemical Structure| 3567-62-2

[ 3567-62-2 ]

1-(3,4-Dichlorophenyl)-3-methylurea

Similarity: 0.93

Chemical Structure| 114888-86-7

[ 114888-86-7 ]

1,1'-(1,4-Phenylene)bis(3-(3,4-dichlorophenyl)urea)

Similarity: 0.93

Chemical Structure| 101-20-2

[ 101-20-2 ]

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea

Similarity: 0.93

Related Parent Nucleus of
[ 2033-29-6 ]

Benzimidazoles

Chemical Structure| 2034-23-3

[ 2034-23-3 ]

5-Chloro-1H-benzo[d]imidazol-2(3H)-one

Similarity: 0.95