SCH-50911 free base

Base Information

• Chemical Name: SCH-50911 free base
• CAS No.: 733717-87-8
• Molecular Formula: C₈H₁₅NO₃
• Molecular Weight: 173.212
• European Community (EC) Number: 803-106-2
• UNII: 13OB0KEU61
• DSSTox Substance ID: DTXSID701336120
• Nikkaji Number: J1.023.850A
• Wikipedia: SCH-50911
• Wikidata: Q7389135
• Pharos Ligand ID: NDW7QYLVUHYS
• ChEMBL ID: CHEMBL1895916
• Mol file: 733717-87-8.mol

Synonyms:(+)-(S)-5,5-dimethylmorpholinyl-2-acetic acid;2-morpholineacetic acid, 5,5-dimethyl-, hydrochloride, (2R)-;2-morpholineacetic acid, 5,5-dimethyl-, hydrochloride, (2S)-;5,5-dimethyl-2-morpholineacetic acid hydrochloride;SCH 50910;SCH 50911;SCH-50910;SCH-50911

Chemical Property of SCH-50911 free base

Chemical Property:

• XLogP3: -2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 173.10519334
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

98% ^*data from raw suppliers

SCH50911 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(COC(CN1)CC(=O)O)C
• Isomeric SMILES: CC1(CO[C@H](CN1)CC(=O)O)C

Technology Process of SCH-50911 free base

There total 4 articles about SCH-50911 free base 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: 84.0%

(S)-2-Ethoxycarbonylmethyl-5,5-dimethyl-morpholine-4-carboxylic acid tert-butyl ester → 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid (733717-87-8,180863-28-9)

Guidance literature:

With hydrogenchloride; In water; at 25 ℃; for 60h;

DOI:10.1016/S0960-894X(96)00267-3

Reference yield:

(E)-4-(2-Hydroxy-1,1-dimethyl-ethylamino)-but-2-enoic acid ethyl ester → 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid (733717-87-8,180863-28-9)

Guidance literature:

Multi-step reaction with 4 steps

1: DBU / toluene / 18 h / Heating

2: Huenig's base / CH₂Cl₂ / 18 h / 25 °C

3: Daicel Chiralcel OD / hexane; propan-2-ol

4: 84 percent / HCl / H₂O / 60 h / 25 °C

With hydrogenchloride; Daicel Chiralcel OD; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; In hexane; dichloromethane; water; isopropyl alcohol; toluene;

DOI:10.1016/S0960-894X(96)00267-3

Reference yield:

(5,5-Dimethyl-morpholin-2-yl)-acetic acid ethyl ester (180863-32-5) → 2-[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid (733717-87-8,180863-28-9)

Guidance literature:

Multi-step reaction with 3 steps

1: Huenig's base / CH₂Cl₂ / 18 h / 25 °C

2: Daicel Chiralcel OD / hexane; propan-2-ol

3: 84 percent / HCl / H₂O / 60 h / 25 °C

With hydrogenchloride; Daicel Chiralcel OD; N-ethyl-N,N-diisopropylamine; In hexane; dichloromethane; water; isopropyl alcohol;

DOI:10.1016/S0960-894X(96)00267-3

upstream raw materials:

(5,5-Dimethyl-morpholin-2-yl)-acetic acid ethyl ester

2-Ethoxycarbonylmethyl-5,5-dimethyl-morpholine-4-carboxylic acid tert-butyl ester