639ZJ7P8SW

Base Information

Chemical Name:639ZJ7P8SW
CAS No.:188350-51-8
Molecular Formula:C₂₅H₂₉N₃O₅*ClH
Molecular Weight:487.983
Hs Code.:
UNII:639ZJ7P8SW

Synonyms:ms-180;639ZJ7P8SW;MS180;(-)-MS-180;(-)-2-(6-(4-(4-Morpholinylcarbonimidoyl)benzamido)-3,4-dihydro-2H-1-benzopyran-3(S)-yl)acetic acid ethyl ester hydrochloride;188350-51-8;2H-1-Benzopyran-3-acetic acid, 3,4-dihydro-6-((4-(imino-4-morpholinylmethyl)benzoyl)amino)-, ethyl ester, hydrochloride (1:1), (3S)-;2H-1-Benzopyran-3-acetic acid, 3,4-dihydro-6-((4-(imino-4-morpholinylmethyl)benzoyl)amino)-, ethyl ester, monohydrochloride, (3S)-;UNII-639ZJ7P8SW

Suppliers and Price of 639ZJ7P8SW

Supply Marketing:

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

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Chemical Property of 639ZJ7P8SW

Chemical Property:

Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:487.1873988
Heavy Atom Count:34
Complexity:688

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CC1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N4CCOCC4)OC1.Cl
Isomeric SMILES:CCOC(=O)C[C@@H]1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N4CCOCC4)OC1.Cl

Technology Process of 639ZJ7P8SW

There total 7 articles about 639ZJ7P8SW 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:

: 110-91-8,99108-56-2
morpholine

: 1432753-22-4
C₂₃H₂₆N₂O₅*ClH

: 188350-51-8
{6-[4-(Imino-morpholin-4-yl-methyl)-benzoylamino]-chroman-3-yl}-acetic acid ethyl ester; hydrochloride

Guidance literature:: morpholine; C₂₃H₂₆N₂O₅*ClH; In ethanol; at 20 ℃; for 20h; Inert atmosphere;

With hydrogenchloride; In ethanol; Inert atmosphere;
DOI:10.1039/c3cc41435c

Reference yield:

: 1432752-93-6
C₁₃H₁₅BrO₃

: 188350-51-8
{6-[4-(Imino-morpholin-4-yl-methyl)-benzoylamino]-chroman-3-yl}-acetic acid ethyl ester; hydrochloride

Guidance literature:: Multi-step reaction with 3 steps

1.1: caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / 1,4-dioxane / 27 h / 100 °C / Inert atmosphere

2.1: hydrogenchloride / 5.5 h / 20 °C / Cooling with ice; Inert atmosphere

3.1: ethanol / 20 h / 20 °C / Inert atmosphere

3.2: Inert atmosphere

With hydrogenchloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; ethanol;
DOI:10.1039/c3cc41435c

Reference yield:

: C₁₃H₁₅BrO₄

: 188350-51-8
{6-[4-(Imino-morpholin-4-yl-methyl)-benzoylamino]-chroman-3-yl}-acetic acid ethyl ester; hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1.1: phosphorus tribromide / diethyl ether / 0 °C / Inert atmosphere

2.1: triphenylphosphine / ethyl acetate / 60 °C / Inert atmosphere

2.2: 25 h / 80 °C / Inert atmosphere

3.1: caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / 1,4-dioxane / 27 h / 100 °C / Inert atmosphere

4.1: hydrogenchloride / 5.5 h / 20 °C / Cooling with ice; Inert atmosphere

5.1: ethanol / 20 h / 20 °C / Inert atmosphere

5.2: Inert atmosphere

With hydrogenchloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; phosphorus tribromide; caesium carbonate; triphenylphosphine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; diethyl ether; ethanol; ethyl acetate;
DOI:10.1039/c3cc41435c