CID 13621653

Base Information

Chemical Name:CID 13621653
CAS No.:102281-28-7
Molecular Formula:C₂₄H₃₁N₃O₅
Molecular Weight:441.527
Hs Code.:
ChEMBL ID:CHEMBL2052004
DSSTox Substance ID:DTXSID501025204
Nikkaji Number:J1.551.401I

Synonyms:CHEMBL2052004;102281-28-7;DTXSID501025204;BDBM50405408;(2S)-1-[2-(3,4-Dimethoxyphenyl)ethylamino]-3-[4-[5-(methoxymethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol

Suppliers and Price of CID 13621653

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 0 raw suppliers

Chemical Property of CID 13621653

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:441.22637110
Heavy Atom Count:32
Complexity:506

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COCC1=CN=C(N1)C2=CC=C(C=C2)OCC(CNCCC3=CC(=C(C=C3)OC)OC)O
Isomeric SMILES:COCC1=CN=C(N1)C2=CC=C(C=C2)OC[C@H](CNCCC3=CC(=C(C=C3)OC)OC)O

Technology Process of CID 13621653

There total 8 articles about CID 13621653 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 102151-52-0
2-<4-(benzyloxy)phenyl>-4-(hydroxymethyl)imidazole

: 102281-28-7
(S)-2-<4-<3-<<2-(3,4-dimethoxyphenyl)ethyl>amino>-2-hydroxypropoxy>phenyl>-4-(methoxymethyl)imidazole

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) thionyl chloride / 1.) RT, 21 h, 2.) reflux, 18 h

2: 100 percent / H₂ / 10percent Pd/C / ethanol / 2585.7 Torr

3: 1.) NaH / 1.) Me₂SO, 60 deg C, 15 min, 2.) Me₂SO, 60 deg C, overnight

4: 10percent NaOH / ethanol / 2 h / Heating

With sodium hydroxide; thionyl chloride; hydrogen; sodium hydride; palladium on activated charcoal; In ethanol;
DOI:10.1021/jm00156a028

Reference yield:

: 102151-53-1
2-imidazole-4-carboxylic acid

: 102281-28-7
(S)-2-<4-<3-<<2-(3,4-dimethoxyphenyl)ethyl>amino>-2-hydroxypropoxy>phenyl>-4-(methoxymethyl)imidazole

Guidance literature:: Multi-step reaction with 6 steps

1: 87 percent / NaH / dimethylformamide / 18 h

2: 51 percent / LAH, Na₂SO₄ / tetrahydrofuran

3: 1.) NaH / 1.) DMF, 30min, 2.) DMF, 18 h

4: 71 percent / H₂ / 10percent Pd/C / ethanol / 2585.7 Torr

5: 1.) NaH / 1.) Me₂SO, 60 deg C, 15 min, 2.) Me₂SO, 60 deg C, overnight

6: 10percent NaOH / ethanol / 2 h / Heating

With sodium hydroxide; lithium aluminium tetrahydride; hydrogen; sodium hydride; sodium sulfate; palladium on activated charcoal; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00156a028

Reference yield:

: 102151-58-6
2-<4-(benzyloxy)phenyl>-4-(methoxymethyl)imidazole

: 102281-28-7
(S)-2-<4-<3-<<2-(3,4-dimethoxyphenyl)ethyl>amino>-2-hydroxypropoxy>phenyl>-4-(methoxymethyl)imidazole

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / H₂ / 10percent Pd/C / ethanol / 2585.7 Torr

2: 1.) NaH / 1.) Me₂SO, 60 deg C, 15 min, 2.) Me₂SO, 60 deg C, overnight

3: 10percent NaOH / ethanol / 2 h / Heating

With sodium hydroxide; hydrogen; sodium hydride; palladium on activated charcoal; In ethanol;
DOI:10.1021/jm00156a028