(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid

Base Information

• Chemical Name: (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
• CAS No.: 126456-06-2
• Molecular Formula: C20H29 N O3
• Molecular Weight: 331.455
• UNII: VKL2NS279Z
• DSSTox Substance ID: DTXSID201045326
• Metabolomics Workbench ID: 150090
• Nikkaji Number: J483.062H
• Wikipedia: ADDA_(amino_acid)
• Mol file: 126456-06-2.mol

Synonyms:ADDA;126456-06-2;(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid;4,6-DECADIENOIC ACID, 3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-, (2S,3S,4E,6E,8S,9S)-;4,6-Decadienoic acid, 3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-, (2S-(2R*,3R*,4E,6E,8R*,9R*))-;starbld0005503;SCHEMBL4315586;DTXSID201045326;GC-300;AKOS040750136;DB06905;PD005795;(2s,3s,8s,9s,4e,6e)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoic acid;(2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYL-4,6-DECADIENOIC ACID

Chemical Property of (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 331.21474379
• Heavy Atom Count: 24
• Complexity: 438

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=C(C)C=CC(C(C)C(=O)O)N)C(CC1=CC=CC=C1)OC
• Isomeric SMILES: C[C@@H](/C=C(\C)/C=C/[C@@H]([C@H](C)C(=O)O)N)[C@H](CC1=CC=CC=C1)OC

Technology Process of (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid

There total 10 articles about (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid 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:

(2S,3S,4E)-6-bromo-2-methoxy-3,5-dimethyl-1-phenyl-4-hexene (126399-11-9) → (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid (126456-06-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / acetonitrile / 16 h / Heating

2: dimethoxyethane (DME), n-BuLi / 7 h / Ambient temperature

3: deprotection

With n-butyllithium; 1,2-dimethoxyethane; In acetonitrile;

DOI:10.1016/S0040-4039(00)99357-2

Reference yield:

(2E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenylhex-2-en-1-ol (126399-05-1) → (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid (126456-06-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 96 percent / PPh₃-CBr₄ / acetonitrile / 16 h / Ambient temperature

2: 98 percent / acetonitrile / 16 h / Heating

3: dimethoxyethane (DME), n-BuLi / 7 h / Ambient temperature

4: deprotection

With n-butyllithium; 1,2-dimethoxyethane; carbon tetrabromide; triphenylphosphine; In acetonitrile;

DOI:10.1016/S0040-4039(00)99357-2

Reference yield:

(E)-(S)-5-Methoxy-2,4-dimethyl-6-phenyl-hex-2-enoic acid ethyl ester (126399-03-9,126399-04-0,126399-09-5,126421-07-6) → (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid (126456-06-2)

Guidance literature:

Multi-step reaction with 5 steps

1: LiAlH₄ / tetrahydrofuran / 1 h / 0 °C

2: 96 percent / PPh₃-CBr₄ / acetonitrile / 16 h / Ambient temperature

3: 98 percent / acetonitrile / 16 h / Heating

4: dimethoxyethane (DME), n-BuLi / 7 h / Ambient temperature

5: deprotection

With lithium aluminium tetrahydride; n-butyllithium; 1,2-dimethoxyethane; carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; acetonitrile;

DOI:10.1016/S0040-4039(00)99357-2

upstream raw materials:

(4E,6E)-(2S,3S,8S,9S)-3-Benzyloxycarbonylamino-9-methoxy-2,6,8-trimethyl-10-phenyl-deca-4,6-dienoic acid ethyl ester

(2S,3S,4E)-6-bromo-2-methoxy-3,5-dimethyl-1-phenyl-4-hexene

(2E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenylhex-2-en-1-ol

(E)-(S)-5-Methoxy-2,4-dimethyl-6-phenyl-hex-2-enoic acid ethyl ester

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