2-Acetamido-5-methylhexanoic acid

Base Information

• Chemical Name: 2-Acetamido-5-methylhexanoic acid
• CAS No.: 5440-33-5
• Molecular Formula: C₉H₁₇NO₃
• Molecular Weight: 187.239
• NSC Number: 20149
• DSSTox Substance ID: DTXSID10398945

Synonyms:2-acetamido-5-methylhexanoic acid;5440-33-5;Norleucine, N-acetyl-5-methyl-;SCHEMBL11240282;2-acetamido-5-methylhexanoicacid;DTXSID10398945;NSC20149;NSC-20149;AKOS013465196;EN300-301377;F2147-6509;Z1201004109

Chemical Property of 2-Acetamido-5-methylhexanoic acid

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 187.12084340
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

2-acetamido-5-methylhexanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC(C(=O)O)NC(=O)C

Technology Process of 2-Acetamido-5-methylhexanoic acid

There total 15 articles about 2-Acetamido-5-methylhexanoic 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:

acetamide (60-35-5) + 3,10-diethyl-3,6,10-trimethyl-4,9-dioxa-3,10-disiladodecane (105746-99-4) + 3-methyl-2-buten-1-ol (556-82-1) → N-acetylleucine (99-15-0) + 2-acetamido-4-methylhexanoic acid (757959-97-0) + 2-acetamido-5-methylhexanoic acid (5440-33-5)

Guidance literature:

With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl; In 1,4-dioxane; Yield given. Yields of byproduct given; 100 atm, 25 deg C and 120 deg C, 16 h, then 130 atm 2 to 3 h;

DOI:10.1016/0022-328X(86)80089-4

Reference yield:

acetamide (60-35-5) + carbon monoxide (201230-82-2) + 3-methyl-2-buten-1-ol (556-82-1) → N-acetylleucine (99-15-0) + 2-acetamido-4-methylhexanoic acid (757959-97-0) + 2-acetamido-5-methylhexanoic acid (5440-33-5)

Guidance literature:

With hydrogen; carbonylhydridetris(triphenylphosphine)rhodium(I); dicobalt octacarbonyl; In 1,4-dioxane; Product distribution; Mechanism; 100 atm, 25 deg C and 120 deg C, 16 h, then 130 atm 2 to 3 h; reactions of derivatives;

DOI:10.1016/0022-328X(86)80089-4

Reference yield:

acetamide (60-35-5) + carbon monoxide (201230-82-2) + isocaproic aldehyde (1119-16-0) → 2-acetamido-5-methylhexanoic acid (5440-33-5)

Guidance literature:

dicobalt octacarbonyl; In ethyl acetate; at 120 ℃; for 16h; under 76000 Torr; Yield given;

DOI:10.1016/0022-328X(86)80089-4

upstream raw materials:

2-Acetylamino-5-mercapto-5-methyl-hexanoic acid

i-pentyl bromide

2-acetylaminomalonic acid diethyl ester

DL-leucine

Downstream raw materials:

L-2-amino-5-methyl hexanoic acid

(S)-2-Amino-5-methyl-hexanoic acid benzyl ester; compound with toluene-4-sulfonic acid

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