ChemicalBook > CAS DataBase List > (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride

(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride

Product Name
(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
CAS No.
120205-48-3
Chemical Name
(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
Synonyms
tert-Butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride;DIL-HCl;Dil.HCI;EOS-60618;Dil-OtBu.HCl;H-Dil-Otbu.HCL;methylaminoheptan;Dolproline intermediate1;Dolaisoleucine-OBu-t.HCl;methylaminoheptanoatehydrochloride
CBNumber
CB02546135
Molecular Formula
C14H30ClNO3
Formula Weight
295.85
MOL File
120205-48-3.mol
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(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride Property

storage temp. 
Inert atmosphere,Room Temperature
form 
Solid
color 
White to off-white
InChI
InChI=1/C14H29NO3.ClH/c1-8-10(2)13(15-6)11(17-7)9-12(16)18-14(3,4)5;/h10-11,13,15H,8-9H2,1-7H3;1H/t10-,11+,13-;/s3
InChIKey
JRXGCIIOQALIMZ-IPYRWZCONA-N
SMILES
[C@H](NC)([C@@H](C)CC)[C@H](OC)CC(=O)OC(C)(C)C.Cl |&1:0,3,7,r|
CAS DataBase Reference
120205-48-3
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC
Product number
M264395
Product name
(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoicAcid1,1-DimethylethylEsterHydrochloride
Packaging
1g
Price
$5445
Updated
2021/12/16
AK Scientific
Product number
Y1817
Product name
(3R,4S,5S)-tert-butyl3-methoxy-5-methyl-4-(methylamino)heptanoatehydrochloride
Packaging
100mg
Price
$203
Updated
2021/12/16
AK Scientific
Product number
Y1817
Product name
(3R,4S,5S)-tert-butyl3-methoxy-5-methyl-4-(methylamino)heptanoatehydrochloride
Packaging
250mg
Price
$293
Updated
2021/12/16
AK Scientific
Product number
Y1817
Product name
(3R,4S,5S)-tert-butyl3-methoxy-5-methyl-4-(methylamino)heptanoatehydrochloride
Packaging
1g
Price
$651
Updated
2021/12/16
AK Scientific
Product number
Y1817
Product name
(3R,4S,5S)-tert-butyl3-methoxy-5-methyl-4-(methylamino)heptanoatehydrochloride
Packaging
5g
Price
$1873
Updated
2021/12/16
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(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride Chemical Properties,Usage,Production

Uses

(3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoic Acid 1,1-Dimethylethyl Ester is an β-methoxy-γ-amino acid component of dolastatin 10, an antineoplastic agent.

Synthesis

120205-58-5

120205-48-3

General Procedure:(3R,4S,5S)-tert-butyl 4-(((benzyloxy)carbonyl)(methyl)amino)-3-methoxy-5-methylheptanoate (13.37 g, 33.98 mmol, 1 eq.) was dissolved in methanol (134 mL, 0.1 M), concentrated hydrochloric acid (3.1 mL, 37.4 mmol, 1.1 eq.) was added, and 10% palladium carbon (50% wet, 0.1 wt%, 1.34 g, 3.40 mmol). The reaction mixture was hydrogenated under 45 psi hydrogen pressure for 3 hours. Upon completion of the reaction, the hydrogen was replaced with nitrogen, the catalyst was removed by filtration through diatomaceous earth, and the filtrate was concentrated under reduced pressure to afford tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride (9.20 g, 92% yield) as a white solid. The product was characterized by 1H NMR (400 MHz, CDCl3): δ 9.65 (br s, 1H), 8.97 (br s, 1H), 3.98-4.04 (m, 1H), 3.40 (s, 3H), 3.06-3.13 (br m, 1H), 2.82 (br dd, J=6,5 Hz, 3H), 2.74-2.80 (m 1H), 2.68 (dd, half of ABX mode, J=16.3,4.2 Hz, 1H), 2.00-2.10 (br m, 1H), 1.73-1.84 (m, 1H), 1.46 (s, 9H), 1.38-1.45 (m, 1H), 1.13 (d, J=7.0 Hz, 3H), 0.99 (t, J= 7.4 Hz, 3H).

References

[1] Patent: WO2013/72813, 2013, A2. Location in patent: Page/Page column 117

(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride Preparation Products And Raw materials

Raw materials

Preparation Products

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(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride Suppliers

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View Lastest Price from (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride manufacturers

Dideu Industries Group Limited
Product
(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride 120205-48-3
Price
US $1.10/g
Min. Order
1g
Purity
99.9%
Supply Ability
100 Tons Min
Release date
2021-07-05
Career Henan Chemical Co
Product
(3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride 120205-48-3
Price
US $1.00/g
Min. Order
100EA
Purity
99%
Supply Ability
G/KG/T
Release date
2019-12-20

120205-48-3, (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hlorideRelated Search:

MonoMethylauristatin F (2R,3R)-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-3-Methoxy-2-Methyl-3-((S)-pyrrolidin-2-yl)propanaMide (hydrochloride) VcMMAE N-Boc-(2R,3R,4S)-dolaproine (9H-fluoren-9-yl)Methyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)aMino)-1-Methoxy-2-Methyl-3-oxopropyl)pyrrolidin-1-yl)-3-Methoxy-5-Methyl-1-oxoheptan-4-yl)(Methyl)aMino)-3-Methyl-1-oxobutan-2-yl)aMino)-3-Met MonoMethyl auristatin E

  • (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
  • (3R,4S,5S)-3-Methoxy-5-methyl-4-(methylamino)heptanoic Acid 1,1-Dimethylethyl Ester Hydrochloride
  • (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydrochloride (Dil-HCl)
  • Dolaisoleucine Hydrochloride (DIL-HCl)
  • 2-Methyl-2-propanyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino) heptanoate hydrochloride (1:1)
  • 3R,4S,5S-tert-butyl 3-methoxy-5-methyl-4-
  • methylaminoheptanoatehydrochloride
  • DILTIAZEM HYDROCHLORIDE;CRD401; CRD-401;CRD 401
  • Dolproline intermediate1
  • tert-Butyl (3R,4S,5S)-3-methoxy-4-(N-methylamino)-5-methylheptanoate hydrochloride
  • tert-Butyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride
  • EOS-60618
  • Dil-OtBu.HCl
  • （3R,4S,5S）-TERT-BUTYL 3-METHOXY-5-METHYL-4-(METHYLAMINO)HENPTANOATE HYDROCHLORIDE
  • 2-Methyl-2-propanyl (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino) heptanoate hydrochloride
  • (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride USP/EP/BP
  • DIL-HCl
  • TIANFU-CHEM CAS:120205-48-3 (3R,4S,5S)-tert-butyl 3-Methoxy-5-Methyl-4-(MethylaMino)heptanoate hydroc hloride
  • methylaminoheptan
  • Dolaisoleucine-OBu-t.HCl
  • Dil.HCI
  • Monomethyl auristatin E intermediate-1
  • H-Dil-Otbu.HCL
  • 120205-48-3
  • C14H29NO3HCl
  • C14H30ClNO3
  • C14H29NO3ClH