3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate

Base Information

• Chemical Name: 3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate
• CAS No.: 462632-54-8
• Molecular Formula: C₃₁H₅₀N₄O₄S
• Molecular Weight: 574.828
• Mol file: 462632-54-8.mol

Synonyms:

Chemical Property of 3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate

Chemical Property:

• Melting Point: 135-138?°C (D)

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-[(E)-[[(1R,2R)-2-[[(1S)-1-[(DIMETHYLAMINO)CARBONYL]-2,2-DIMETHYLPROPYL]THIOUREIDO]CYCLOHEXYL]IMINO]METHYL]-5-(TERT-BUTYL)-4-HYDROXYPHENYL PIVALATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

Useful:

Technology Process of 3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate

There total 4 articles about 3-[[[(1R,2R)-2-[[[[(1S)-1-[(Dimethylamino)carbonyl]-2,2-dimethylpropyl]amino]thioxomethyl]amino]cyclohexyl]imino]methyl]-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate 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:

(S)-2-amino-3,3,N,N-tetramethylbutyramide hydrochloride → 3-{(E)-[((1R,2R)-2-{[({(1S)-1-[(dimethylamino)carbonyl]-2,2-dimethyl-propyl}amino)carbonothioyl]amino}cyclohexyl)imino]methyl}-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate (462632-54-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaHCO₃ / CH₂Cl₂; H₂O / 0.5 h / 0 °C

1.2: 2.13 g / DIPEA / CH₂Cl₂ / 0.5 h

2.1: Na₂SO₄ / methanol / 1.5 h

With sodium hydrogencarbonate; sodium sulfate; In methanol; dichloromethane; water;

DOI:10.1021/ja027246j

Reference yield:

N-tert-butyloxycarbonyl-L-tert-leucine (62965-35-9) → 3-{(E)-[((1R,2R)-2-{[({(1S)-1-[(dimethylamino)carbonyl]-2,2-dimethyl-propyl}amino)carbonothioyl]amino}cyclohexyl)imino]methyl}-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate (462632-54-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: HBTU; DIPEA / CH₂Cl₂ / 1.5 h

1.2: HCl / dioxane / 2 h / 20 °C

2.1: NaHCO₃ / CH₂Cl₂; H₂O / 0.5 h / 0 °C

2.2: 2.13 g / DIPEA / CH₂Cl₂ / 0.5 h

3.1: Na₂SO₄ / methanol / 1.5 h

With sodium hydrogencarbonate; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; sodium sulfate; N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane; water;

DOI:10.1021/ja027246j

Reference yield:

(1R,2R)-1,2-diaminocyclohexane (20439-47-8) → 3-{(E)-[((1R,2R)-2-{[({(1S)-1-[(dimethylamino)carbonyl]-2,2-dimethyl-propyl}amino)carbonothioyl]amino}cyclohexyl)imino]methyl}-5-(1,1-dimethylethyl)-4-hydroxyphenyl 2,2-dimethylpropanoate (462632-54-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaHCO₃ / CH₂Cl₂; H₂O / 0.5 h / 0 °C

1.2: 2.13 g / DIPEA / CH₂Cl₂ / 0.5 h

2.1: Na₂SO₄ / methanol / 1.5 h

With sodium hydrogencarbonate; sodium sulfate; In methanol; dichloromethane; water;

DOI:10.1021/ja027246j

upstream raw materials:

2-hydroxy-5-pivaloyloxy-3-tert-butylbenzaldehyde

(S)-2-(3-((1R,2R)-2-aminocyclohexyl)thioureido)-N,N,3,3-tetramethylbutanamide

N-tert-butyloxycarbonyl-L-tert-leucine

(1R,2R)-1,2-diaminocyclohexane